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

Systemtic Name: 3-acetamido-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(4-methylphenyl)propanamide Openeye Name: 3-acetamido-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(p-tolyl)propanamide CAS Name: 3-acetamido-N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-(4-methylphenyl)propanamide IUPAC Name: 3-acetamido-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-(4-methylphenyl)propanamide Traditional Name: 3-acetamido-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(p-tolyl)propionamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3)NC(=O)C

InChI

InChI=1S/C25H33N3O4S/c1-18-8-11-21(12-9-18)23(26-20(3)29)17-25(30)27-22-13-10-19(2)24(16-22)33(31,32)28-14-6-4-5-7-15-28/h8-13,16,23H,4-7,14-15,17H2,1-3H3,(H,26,29)(H,27,30)