N-(6-chloranyl-1,3-benzothiazol-2-yl)-1-(1-methylimidazol-4-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-1-(1-methylimidazol-4-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-1-(1-methylimidazol-4-yl)sulfonyl-piperidine-3-carboxamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-1-[(1-methyl-4-imidazolyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-1-(1-methylimidazol-4-yl)sulfonyl-nipecotamide Formula: C17H18ClN5O3S2 MolecularWeight: 439.93952

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

CN1C=C(N=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C17H18ClN5O3S2/c1-22-9-15(19-10-22)28(25,26)23-6-2-3-11(8-23)16(24)21-17-20-13-5-4-12(18)7-14(13)27-17/h4-5,7,9-11H,2-3,6,8H2,1H3,(H,20,21,24)