2-acetamido-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-methyl-butanamide

Systemtic Name: 2-acetamido-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-methyl-butanamide Openeye Name: 2-acetamido-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-methyl-butanamide CAS Name: 2-acetamido-N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-methylbutanamide IUPAC Name: 2-acetamido-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-methylbutanamide Traditional Name: 2-acetamido-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-methyl-butyramide Formula: C20H31N3O4S MolecularWeight: 409.54284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C(C)C)NC(=O)C)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C(C)C)NC(=O)C)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C20H31N3O4S/c1-14(2)19(21-16(4)24)20(25)22-17-10-9-15(3)18(13-17)28(26,27)23-11-7-5-6-8-12-23/h9-10,13-14,19H,5-8,11-12H2,1-4H3,(H,21,24)(H,22,25)