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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(3,4-dimethoxyphenyl)propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(3,4-dimethoxyphenyl)propanamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-(3,4-dimethoxyphenyl)propanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-(3,4-dimethoxyphenyl)propanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(3,4-dimethoxyphenyl)propionamide Formula: C24H32N2O5S MolecularWeight: 460.58628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCC2=CC(=C(C=C2)OC)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCC2=CC(=C(C=C2)OC)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H32N2O5S/c1-18-8-11-20(17-23(18)32(28,29)26-14-6-4-5-7-15-26)25-24(27)13-10-19-9-12-21(30-2)22(16-19)31-3/h8-9,11-12,16-17H,4-7,10,13-15H2,1-3H3,(H,25,27)