1-(2-methyl-1-benzofuran-5-yl)-3-(4-methylphenyl)sulfonyl-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine

Systemtic Name: 1-(2-methyl-1-benzofuran-5-yl)-3-(4-methylphenyl)sulfonyl-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-(p-tolylsulfonyl)guanidine CAS Name: 1-(2-methyl-5-benzofuranyl)-3-(4-methylphenyl)sulfonyl-2-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]guanidine IUPAC Name: 1-(2-methyl-1-benzofuran-5-yl)-3-(4-methylphenyl)sulfonyl-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-tosyl-guanidine Formula: C29H35N5O5S MolecularWeight: 565.6837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=NC2CCCCN(C2=O)CC(=O)N3CCCC3)NC4=CC5=C(C=C4)OC(=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=NC2CCCCN(C2=O)CC(=O)N3CCCC3)NC4=CC5=C(C=C4)OC(=C5)C

InChI

InChI=1S/C29H35N5O5S/c1-20-8-11-24(12-9-20)40(37,38)32-29(30-23-10-13-26-22(18-23)17-21(2)39-26)31-25-7-3-4-16-34(28(25)36)19-27(35)33-14-5-6-15-33/h8-13,17-18,25H,3-7,14-16,19H2,1-2H3,(H2,30,31,32)