N-(2-methylphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-methylphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(o-tolyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-methylphenyl)-1-[(1-propyl-5-benzotriazolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(2-methylphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(o-tolyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-isonipecotamide Formula: C22H27N5O3S MolecularWeight: 441.54648

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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=CC=C4C)N=N1

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC=CC=C4C)N=N1

InChI

InChI=1S/C22H27N5O3S/c1-3-12-27-21-9-8-18(15-20(21)24-25-27)31(29,30)26-13-10-17(11-14-26)22(28)23-19-7-5-4-6-16(19)2/h4-9,15,17H,3,10-14H2,1-2H3,(H,23,28)