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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(3-chlorophenyl)methyl]-N-methyl-propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(3-chlorophenyl)methyl]-N-methyl-propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[(3-chlorophenyl)methyl]-N-methylpropanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(3-chlorophenyl)methyl]-N-methylpropanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-chlorobenzyl)-N-methyl-propionamide Formula: C23H29ClN2O3S MolecularWeight: 449.00596

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)Cl)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(CC1=CC(=CC=C1)Cl)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H29ClN2O3S/c1-25(18-20-7-6-8-21(24)17-20)23(27)14-11-19-9-12-22(13-10-19)30(28,29)26-15-4-2-3-5-16-26/h6-10,12-13,17H,2-5,11,14-16,18H2,1H3