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

Systemtic Name: N-(2-ethoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-ethoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-ethoxyphenyl)-1-[(1-propyl-5-benzotriazolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(2-ethoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-o-phenetyl-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)NC4=CC=CC=C4OCC)N=N1

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC=CC=C4OCC)N=N1

InChI

InChI=1S/C23H29N5O4S/c1-3-13-28-21-10-9-18(16-20(21)25-26-28)33(30,31)27-14-11-17(12-15-27)23(29)24-19-7-5-6-8-22(19)32-4-2/h5-10,16-17H,3-4,11-15H2,1-2H3,(H,24,29)