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

Systemtic Name: N-(2,3-dimethylphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2,3-dimethylphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2,3-dimethylphenyl)-1-[(1-propyl-5-benzotriazolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(2,3-dimethylphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2,3-dimethylphenyl)-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)NC4=CC=CC(=C4C)C)N=N1

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC=CC(=C4C)C)N=N1

InChI

InChI=1S/C23H29N5O3S/c1-4-12-28-22-9-8-19(15-21(22)25-26-28)32(30,31)27-13-10-18(11-14-27)23(29)24-20-7-5-6-16(2)17(20)3/h5-9,15,18H,4,10-14H2,1-3H3,(H,24,29)