N-(3-chloranyl-4-methyl-phenyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-chloro-4-methylphenyl)-1-[(1-propyl-5-benzotriazolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(3-chloro-4-methylphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-isonipecotamide Formula: C22H26ClN5O3S MolecularWeight: 475.99154

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)C)Cl)N=N1

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)C)Cl)N=N1

InChI

InChI=1S/C22H26ClN5O3S/c1-3-10-28-21-7-6-18(14-20(21)25-26-28)32(30,31)27-11-8-16(9-12-27)22(29)24-17-5-4-15(2)19(23)13-17/h4-7,13-14,16H,3,8-12H2,1-2H3,(H,24,29)