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

Systemtic Name: 5-chloranyl-N-[(1-methylbenzotriazol-5-yl)methyl]-N-[(3R)-2-oxidanylideneazepan-3-yl]thiophene-2-sulfonamide Openeye Name: 5-chloro-N-[(1-methylbenzotriazol-5-yl)methyl]-N-[(3R)-2-oxoazepan-3-yl]thiophene-2-sulfonamide CAS Name: 5-chloro-N-[(1-methyl-5-benzotriazolyl)methyl]-N-[(3R)-2-oxo-3-azepanyl]-2-thiophenesulfonamide IUPAC Name: 5-chloro-N-[(1-methylbenzotriazol-5-yl)methyl]-N-[(3R)-2-oxoazepan-3-yl]thiophene-2-sulfonamide Traditional Name: 5-chloro-N-[(3R)-2-ketoazepan-3-yl]-N-[(1-methylbenzotriazol-5-yl)methyl]thiophene-2-sulfonamide Formula: C18H20ClN5O3S2 MolecularWeight: 453.9661

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)CN(C3CCCCNC3=O)S(=O)(=O)C4=CC=C(S4)Cl)N=N1

Isomeric SMILES

CN1C2=C(C=C(C=C2)CN([C@@H]3CCCCNC3=O)S(=O)(=O)C4=CC=C(S4)Cl)N=N1

InChI

InChI=1S/C18H20ClN5O3S2/c1-23-14-6-5-12(10-13(14)21-22-23)11-24(15-4-2-3-9-20-18(15)25)29(26,27)17-8-7-16(19)28-17/h5-8,10,15H,2-4,9,11H2,1H3,(H,20,25)/t15-/m1/s1