N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-(3,4,5-trimethoxyphenyl)propanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-(3,4,5-trimethoxyphenyl)propanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(3,4,5-trimethoxyphenyl)propionamide Formula: C25H34N2O6S MolecularWeight: 490.61226

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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)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O6S/c1-18-9-11-20(17-23(18)34(29,30)27-13-7-5-6-8-14-27)26-24(28)12-10-19-15-21(31-2)25(33-4)22(16-19)32-3/h9,11,15-17H,5-8,10,12-14H2,1-4H3,(H,26,28)