(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)methanone CAS Name: [2-methyl-5-(1-pyrrolidinylsulfonyl)phenyl]-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-(2-methyl-5-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: (4-benzylsulfonylpiperazino)-(2-methyl-5-pyrrolidinosulfonyl-phenyl)methanone Formula: C23H29N3O5S2 MolecularWeight: 491.62346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O5S2/c1-19-9-10-21(33(30,31)26-11-5-6-12-26)17-22(19)23(27)24-13-15-25(16-14-24)32(28,29)18-20-7-3-2-4-8-20/h2-4,7-10,17H,5-6,11-16,18H2,1H3