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

Systemtic Name: N-[(4-methoxyphenyl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(4-methoxyphenyl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(4-methoxyphenyl)methyl]-1-[(1-propyl-5-benzotriazolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-p-anisyl-1-(1-propylbenzotriazol-5-yl)sulfonyl-isonipecotamide Formula: C23H29N5O4S MolecularWeight: 471.57246

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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=C(C=C4)OC)N=N1

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O4S/c1-3-12-28-22-9-8-20(15-21(22)25-26-28)33(30,31)27-13-10-18(11-14-27)23(29)24-16-17-4-6-19(32-2)7-5-17/h4-9,15,18H,3,10-14,16H2,1-2H3,(H,24,29)