6-chloranyl-N-[(1-methylbenzotriazol-5-yl)methyl]-N-[(3R)-2-oxidanylideneazepan-3-yl]pyridine-3-sulfonamide

Systemtic Name: 6-chloranyl-N-[(1-methylbenzotriazol-5-yl)methyl]-N-[(3R)-2-oxidanylideneazepan-3-yl]pyridine-3-sulfonamide Openeye Name: 6-chloro-N-[(1-methylbenzotriazol-5-yl)methyl]-N-[(3R)-2-oxoazepan-3-yl]pyridine-3-sulfonamide CAS Name: 6-chloro-N-[(1-methyl-5-benzotriazolyl)methyl]-N-[(3R)-2-oxo-3-azepanyl]-3-pyridinesulfonamide IUPAC Name: 6-chloro-N-[(1-methylbenzotriazol-5-yl)methyl]-N-[(3R)-2-oxoazepan-3-yl]pyridine-3-sulfonamide Traditional Name: 6-chloro-N-[(3R)-2-ketoazepan-3-yl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyridine-3-sulfonamide Formula: C19H21ClN6O3S MolecularWeight: 448.92644

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)CN(C3CCCCNC3=O)S(=O)(=O)C4=CN=C(C=C4)Cl)N=N1

Isomeric SMILES

CN1C2=C(C=C(C=C2)CN([C@@H]3CCCCNC3=O)S(=O)(=O)C4=CN=C(C=C4)Cl)N=N1

InChI

InChI=1S/C19H21ClN6O3S/c1-25-16-7-5-13(10-15(16)23-24-25)12-26(17-4-2-3-9-21-19(17)27)30(28,29)14-6-8-18(20)22-11-14/h5-8,10-11,17H,2-4,9,12H2,1H3,(H,21,27)/t17-/m1/s1