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

Systemtic Name: N-[(4-ethylphenyl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(4-ethylphenyl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(4-ethylphenyl)methyl]-1-[(1-propyl-5-benzotriazolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[(4-ethylphenyl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-ethylbenzyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-isonipecotamide Formula: C24H31N5O3S MolecularWeight: 469.59964

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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)CC)N=N1

Isomeric SMILES

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

InChI

InChI=1S/C24H31N5O3S/c1-3-13-29-23-10-9-21(16-22(23)26-27-29)33(31,32)28-14-11-20(12-15-28)24(30)25-17-19-7-5-18(4-2)6-8-19/h5-10,16,20H,3-4,11-15,17H2,1-2H3,(H,25,30)