3-(azepan-1-ylsulfonyl)-4-methoxy-N-(5-methylhexan-2-yl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(5-methylhexan-2-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(1,4-dimethylpentyl)-4-methoxy-benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-methoxy-N-(5-methylhexan-2-yl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(5-methylhexan-2-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(1,4-dimethylpentyl)-4-methoxy-benzamide Formula: C21H34N2O4S MolecularWeight: 410.57066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C)CCC(C)NC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C21H34N2O4S/c1-16(2)9-10-17(3)22-21(24)18-11-12-19(27-4)20(15-18)28(25,26)23-13-7-5-6-8-14-23/h11-12,15-17H,5-10,13-14H2,1-4H3,(H,22,24)