1-(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-4-carboxamide Openeye Name: N-(3,4-dimethylphenyl)-1-(1-sec-butylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide CAS Name: 1-[(1-butan-2-yl-5-benzotriazolyl)sulfonyl]-N-(3,4-dimethylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-4-carboxamide Traditional Name: N-(3,4-dimethylphenyl)-1-(1-sec-butylbenzotriazol-5-yl)sulfonyl-isonipecotamide Formula: C24H31N5O3S MolecularWeight: 469.59964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)C)C)N=N1

Isomeric SMILES

CCC(C)N1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)C)C)N=N1

InChI

InChI=1S/C24H31N5O3S/c1-5-18(4)29-23-9-8-21(15-22(23)26-27-29)33(31,32)28-12-10-19(11-13-28)24(30)25-20-7-6-16(2)17(3)14-20/h6-9,14-15,18-19H,5,10-13H2,1-4H3,(H,25,30)