6-chloranyl-N-[(3R)-2-oxidanylideneazepan-3-yl]-N-(quinolin-2-ylmethyl)pyridine-3-sulfonamide

Systemtic Name: 6-chloranyl-N-[(3R)-2-oxidanylideneazepan-3-yl]-N-(quinolin-2-ylmethyl)pyridine-3-sulfonamide Openeye Name: 6-chloro-N-[(3R)-2-oxoazepan-3-yl]-N-(2-quinolylmethyl)pyridine-3-sulfonamide CAS Name: 6-chloro-N-[(3R)-2-oxo-3-azepanyl]-N-(2-quinolinylmethyl)-3-pyridinesulfonamide IUPAC Name: 6-chloro-N-[(3R)-2-oxoazepan-3-yl]-N-(quinolin-2-ylmethyl)pyridine-3-sulfonamide Traditional Name: 6-chloro-N-[(3R)-2-ketoazepan-3-yl]-N-(2-quinolylmethyl)pyridine-3-sulfonamide Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(CC2=NC3=CC=CC=C3C=C2)S(=O)(=O)C4=CN=C(C=C4)Cl

Isomeric SMILES

C1CCNC(=O)[C@@H](C1)N(CC2=NC3=CC=CC=C3C=C2)S(=O)(=O)C4=CN=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN4O3S/c22-20-11-10-17(13-24-20)30(28,29)26(19-7-3-4-12-23-21(19)27)14-16-9-8-15-5-1-2-6-18(15)25-16/h1-2,5-6,8-11,13,19H,3-4,7,12,14H2,(H,23,27)/t19-/m1/s1