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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(3-chlorophenyl)methyl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(3-chlorophenyl)methyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[(3-chlorophenyl)methyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(3-chlorophenyl)methyl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-chlorobenzyl)propionamide Formula: C22H27ClN2O3S MolecularWeight: 434.97938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H27ClN2O3S/c23-20-7-5-6-19(16-20)17-24-22(26)13-10-18-8-11-21(12-9-18)29(27,28)25-14-3-1-2-4-15-25/h5-9,11-12,16H,1-4,10,13-15,17H2,(H,24,26)