N-[(4-bromophenyl)methyl]-N-[(3R)-2-oxidanylideneazepan-3-yl]pyridine-3-sulfonamide

Systemtic Name: N-[(4-bromophenyl)methyl]-N-[(3R)-2-oxidanylideneazepan-3-yl]pyridine-3-sulfonamide Openeye Name: N-[(4-bromophenyl)methyl]-N-[(3R)-2-oxoazepan-3-yl]pyridine-3-sulfonamide CAS Name: N-[(4-bromophenyl)methyl]-N-[(3R)-2-oxo-3-azepanyl]-3-pyridinesulfonamide IUPAC Name: N-[(4-bromophenyl)methyl]-N-[(3R)-2-oxoazepan-3-yl]pyridine-3-sulfonamide Traditional Name: N-(4-bromobenzyl)-N-[(3R)-2-ketoazepan-3-yl]pyridine-3-sulfonamide Formula: C18H20BrN3O3S MolecularWeight: 438.3387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(CC2=CC=C(C=C2)Br)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

C1CCNC(=O)[C@@H](C1)N(CC2=CC=C(C=C2)Br)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C18H20BrN3O3S/c19-15-8-6-14(7-9-15)13-22(17-5-1-2-11-21-18(17)23)26(24,25)16-4-3-10-20-12-16/h3-4,6-10,12,17H,1-2,5,11,13H2,(H,21,23)/t17-/m1/s1