N-(2-methoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-methoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-methoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-methoxyphenyl)-1-[(1-propyl-5-benzotriazolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(2-methoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-methoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-isonipecotamide Formula: C22H27N5O4S MolecularWeight: 457.54588

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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=C4OC)N=N1

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC=CC=C4OC)N=N1

InChI

InChI=1S/C22H27N5O4S/c1-3-12-27-20-9-8-17(15-19(20)24-25-27)32(29,30)26-13-10-16(11-14-26)22(28)23-18-6-4-5-7-21(18)31-2/h4-9,15-16H,3,10-14H2,1-2H3,(H,23,28)