1-(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide Openeye Name: N-(m-tolylmethyl)-1-(1-sec-butylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide CAS Name: 1-[(1-butan-2-yl-5-benzotriazolyl)sulfonyl]-N-[(3-methylphenyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide Traditional Name: N-(3-methylbenzyl)-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)NCC4=CC=CC(=C4)C)N=N1

Isomeric SMILES

CCC(C)N1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=CC=CC(=C4)C)N=N1

InChI

InChI=1S/C24H31N5O3S/c1-4-18(3)29-23-9-8-21(15-22(23)26-27-29)33(31,32)28-12-10-20(11-13-28)24(30)25-16-19-7-5-6-17(2)14-19/h5-9,14-15,18,20H,4,10-13,16H2,1-3H3,(H,25,30)