5-(azepan-1-ylsulfonyl)-N-[(2-chlorophenyl)methyl]-2-methoxy-benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-[(2-chlorophenyl)methyl]-2-methoxy-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-[(2-chlorophenyl)methyl]-2-methoxy-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-[(2-chlorophenyl)methyl]-2-methoxybenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-[(2-chlorophenyl)methyl]-2-methoxybenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-(2-chlorobenzyl)-2-methoxy-benzamide Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCC3=CC=CC=C3Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCC3=CC=CC=C3Cl

InChI

InChI=1S/C21H25ClN2O4S/c1-28-20-11-10-17(29(26,27)24-12-6-2-3-7-13-24)14-18(20)21(25)23-15-16-8-4-5-9-19(16)22/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,23,25)