5-(azepan-1-ylsulfonyl)-2-chloranyl-N-[(4-methoxyphenyl)methyl]benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-chloranyl-N-[(4-methoxyphenyl)methyl]benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[(4-methoxyphenyl)methyl]benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-chloro-N-[(4-methoxyphenyl)methyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[(4-methoxyphenyl)methyl]benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-p-anisyl-benzamide Formula: C21H25ClN2O4S MolecularWeight: 436.9522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C21H25ClN2O4S/c1-28-17-8-6-16(7-9-17)15-23-21(25)19-14-18(10-11-20(19)22)29(26,27)24-12-4-2-3-5-13-24/h6-11,14H,2-5,12-13,15H2,1H3,(H,23,25)