N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(phenylsulfonyl)propanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(phenylsulfonyl)propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(benzenesulfonyl)propanamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-(benzenesulfonyl)propanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-(benzenesulfonyl)propanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-besyl-propionamide Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H28N2O5S2/c1-18-11-12-19(17-21(18)31(28,29)24-14-7-2-3-8-15-24)23-22(25)13-16-30(26,27)20-9-5-4-6-10-20/h4-6,9-12,17H,2-3,7-8,13-16H2,1H3,(H,23,25)