N-[2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]-4-(2-oxidanylidenepyrrolidin-1-yl)benzamide

Systemtic Name: N-[2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]-4-(2-oxidanylidenepyrrolidin-1-yl)benzamide Openeye Name: N-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide CAS Name: N-[2-[3-(1-azepanylsulfonyl)anilino]-2-oxoethyl]-4-(2-oxo-1-pyrrolidinyl)benzamide IUPAC Name: N-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide Traditional Name: N-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl]-4-(2-ketopyrrolidino)benzamide Formula: C25H30N4O5S MolecularWeight: 498.5945

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CNC(=O)C3=CC=C(C=C3)N4CCCC4=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CNC(=O)C3=CC=C(C=C3)N4CCCC4=O

InChI

InChI=1S/C25H30N4O5S/c30-23(18-26-25(32)19-10-12-21(13-11-19)29-16-6-9-24(29)31)27-20-7-5-8-22(17-20)35(33,34)28-14-3-1-2-4-15-28/h5,7-8,10-13,17H,1-4,6,9,14-16,18H2,(H,26,32)(H,27,30)