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

Systemtic Name: N-[(3-methylphenyl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(m-tolylmethyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(3-methylphenyl)methyl]-1-[(1-propyl-5-benzotriazolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[(3-methylphenyl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-methylbenzyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-isonipecotamide Formula: C23H29N5O3S MolecularWeight: 455.57306

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=CC=CC(=C4)C)N=N1

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=CC=CC(=C4)C)N=N1

InChI

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