N-methyl-N-(phenylmethyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-methyl-N-(phenylmethyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-benzyl-N-methyl-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide CAS Name: N-methyl-N-(phenylmethyl)-1-[(1-propyl-5-benzotriazolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-benzyl-N-methyl-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-benzyl-N-methyl-1-(1-propylbenzotriazol-5-yl)sulfonyl-isonipecotamide Formula: C23H29N5O3S MolecularWeight: 455.57306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)N(C)CC4=CC=CC=C4)N=N1

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)N(C)CC4=CC=CC=C4)N=N1

InChI

InChI=1S/C23H29N5O3S/c1-3-13-28-22-10-9-20(16-21(22)24-25-28)32(30,31)27-14-11-19(12-15-27)23(29)26(2)17-18-7-5-4-6-8-18/h4-10,16,19H,3,11-15,17H2,1-2H3