N-(3-methylphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-methylphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(m-tolyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-methylphenyl)-1-[(1-propyl-5-benzotriazolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(3-methylphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(m-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(=C4)C)N=N1

Isomeric SMILES

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

InChI

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