N-[3-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-3-oxidanylidene-propyl]-3,5-dimethoxy-benzamide

Systemtic Name: N-[3-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-3-oxidanylidene-propyl]-3,5-dimethoxy-benzamide Openeye Name: N-[3-[4-(azepan-1-ylsulfonyl)anilino]-3-oxo-propyl]-3,5-dimethoxy-benzamide CAS Name: N-[3-[4-(1-azepanylsulfonyl)anilino]-3-oxopropyl]-3,5-dimethoxybenzamide IUPAC Name: N-[3-[4-(azepan-1-ylsulfonyl)anilino]-3-oxopropyl]-3,5-dimethoxybenzamide Traditional Name: N-[3-[4-(azepan-1-ylsulfonyl)anilino]-3-keto-propyl]-3,5-dimethoxy-benzamide Formula: C24H31N3O6S MolecularWeight: 489.58444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C24H31N3O6S/c1-32-20-15-18(16-21(17-20)33-2)24(29)25-12-11-23(28)26-19-7-9-22(10-8-19)34(30,31)27-13-5-3-4-6-14-27/h7-10,15-17H,3-6,11-14H2,1-2H3,(H,25,29)(H,26,28)