3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-methylpentyl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-methylpentyl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-isohexyl-propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(4-methylpentyl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-methylpentyl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-isohexyl-propionamide Formula: C21H34N2O3S MolecularWeight: 394.57126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCNC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C)CCCNC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C21H34N2O3S/c1-18(2)8-7-15-22-21(24)14-11-19-9-12-20(13-10-19)27(25,26)23-16-5-3-4-6-17-23/h9-10,12-13,18H,3-8,11,14-17H2,1-2H3,(H,22,24)