3-(azepan-1-ylsulfonyl)-N-[(2,4-dimethylphenyl)methyl]-4-methoxy-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[(2,4-dimethylphenyl)methyl]-4-methoxy-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[(2,4-dimethylphenyl)methyl]-4-methoxy-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[(2,4-dimethylphenyl)methyl]-4-methoxybenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[(2,4-dimethylphenyl)methyl]-4-methoxybenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(2,4-dimethylbenzyl)-4-methoxy-benzamide Formula: C23H30N2O4S MolecularWeight: 430.5603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O4S/c1-17-8-9-20(18(2)14-17)16-24-23(26)19-10-11-21(29-3)22(15-19)30(27,28)25-12-6-4-5-7-13-25/h8-11,14-15H,4-7,12-13,16H2,1-3H3,(H,24,26)