N-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-4-(2-oxidanylidenepyrrolidin-1-yl)benzamide

Systemtic Name: N-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-4-(2-oxidanylidenepyrrolidin-1-yl)benzamide Openeye Name: N-[2-oxo-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide CAS Name: N-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]-4-(2-oxo-1-pyrrolidinyl)benzamide IUPAC Name: N-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide Traditional Name: 4-(2-ketopyrrolidino)-N-[2-keto-2-(4-tosyl-1,4-diazepan-1-yl)ethyl]benzamide Formula: C25H30N4O5S MolecularWeight: 498.5945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CNC(=O)C3=CC=C(C=C3)N4CCCC4=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CNC(=O)C3=CC=C(C=C3)N4CCCC4=O

InChI

InChI=1S/C25H30N4O5S/c1-19-5-11-22(12-6-19)35(33,34)28-14-3-13-27(16-17-28)24(31)18-26-25(32)20-7-9-21(10-8-20)29-15-2-4-23(29)30/h5-12H,2-4,13-18H2,1H3,(H,26,32)