2-[[1-[[1-[2-[3-[(5-chloranyl-1-benzothiophen-2-yl)sulfonylamino]-2-oxidanylidene-piperidin-1-yl]ethanoyl]pyrrolidin-2-yl]methyl]pyrrolidin-3-yl]-methyl-amino]ethyl ethanoate

Systemtic Name: 2-[[1-[[1-[2-[3-[(5-chloranyl-1-benzothiophen-2-yl)sulfonylamino]-2-oxidanylidene-piperidin-1-yl]ethanoyl]pyrrolidin-2-yl]methyl]pyrrolidin-3-yl]-methyl-amino]ethyl ethanoate Openeye Name: 2-[[1-[[1-[2-[3-[(5-chlorobenzothiophen-2-yl)sulfonylamino]-2-oxo-1-piperidyl]acetyl]pyrrolidin-2-yl]methyl]pyrrolidin-3-yl]-methyl-amino]ethyl acetate CAS Name: acetic acid 2-[[1-[[1-[2-[3-[(5-chloro-1-benzothiophen-2-yl)sulfonylamino]-2-oxo-1-piperidinyl]-1-oxoethyl]-2-pyrrolidinyl]methyl]-3-pyrrolidinyl]-methylamino]ethyl ester IUPAC Name: 2-[[1-[[1-[2-[3-[(5-chloro-1-benzothiophen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]pyrrolidin-3-yl]-methylamino]ethyl acetate Traditional Name: acetic acid 2-[[1-[[1-[2-[3-[(5-chlorobenzothiophen-2-yl)sulfonylamino]-2-keto-piperidino]acetyl]pyrrolidin-2-yl]methyl]pyrrolidin-3-yl]-methyl-amino]ethyl ester Formula: C29H40ClN5O6S2 MolecularWeight: 654.2408

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN(C)C1CCN(C1)CC2CCCN2C(=O)CN3CCCC(C3=O)NS(=O)(=O)C4=CC5=C(S4)C=CC(=C5)Cl

Isomeric SMILES

CC(=O)OCCN(C)C1CCN(C1)CC2CCCN2C(=O)CN3CCCC(C3=O)NS(=O)(=O)C4=CC5=C(S4)C=CC(=C5)Cl

InChI

InChI=1S/C29H40ClN5O6S2/c1-20(36)41-14-13-32(2)23-9-12-33(17-23)18-24-5-3-11-35(24)27(37)19-34-10-4-6-25(29(34)38)31-43(39,40)28-16-21-15-22(30)7-8-26(21)42-28/h7-8,15-16,23-25,31H,3-6,9-14,17-19H2,1-2H3