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

Systemtic Name: 3-acetamido-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(4-methoxyphenyl)propanamide Openeye Name: 3-acetamido-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(4-methoxyphenyl)propanamide CAS Name: 3-acetamido-N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-(4-methoxyphenyl)propanamide IUPAC Name: 3-acetamido-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-(4-methoxyphenyl)propanamide Traditional Name: 3-acetamido-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(4-methoxyphenyl)propionamide Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O5S/c1-18-8-11-21(16-24(18)34(31,32)28-14-6-4-5-7-15-28)27-25(30)17-23(26-19(2)29)20-9-12-22(33-3)13-10-20/h8-13,16,23H,4-7,14-15,17H2,1-3H3,(H,26,29)(H,27,30)