1-ethenylsulfonyl-3-(2-methyl-1-benzofuran-5-yl)-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine

Systemtic Name: 1-ethenylsulfonyl-3-(2-methyl-1-benzofuran-5-yl)-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine Openeye Name: 1-(2-methylbenzofuran-5-yl)-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]-3-vinylsulfonyl-guanidine CAS Name: 1-ethenylsulfonyl-3-(2-methyl-5-benzofuranyl)-2-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]guanidine IUPAC Name: 1-ethenylsulfonyl-3-(2-methyl-1-benzofuran-5-yl)-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine Traditional Name: 2-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-1-(2-methylbenzofuran-5-yl)-3-vinylsulfonyl-guanidine Formula: C24H31N5O5S MolecularWeight: 501.59844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)NS(=O)(=O)C=C

Isomeric SMILES

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)NS(=O)(=O)C=C

InChI

InChI=1S/C24H31N5O5S/c1-3-35(32,33)27-24(25-19-9-10-21-18(15-19)14-17(2)34-21)26-20-8-4-5-13-29(23(20)31)16-22(30)28-11-6-7-12-28/h3,9-10,14-15,20H,1,4-8,11-13,16H2,2H3,(H2,25,26,27)