5-(azepan-1-ylsulfonyl)-2-methoxy-N-(3-methylphenyl)benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(3-methylphenyl)benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(m-tolyl)benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-methoxy-N-(3-methylphenyl)benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(3-methylphenyl)benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(m-tolyl)benzamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-16-8-7-9-17(14-16)22-21(24)19-15-18(10-11-20(19)27-2)28(25,26)23-12-5-3-4-6-13-23/h7-11,14-15H,3-6,12-13H2,1-2H3,(H,22,24)