N-[(4-methylsulfanylphenyl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[(4-methylsulfanylphenyl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-[(4-methylsulfanylphenyl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-3-carboxamide CAS Name: N-[[4-(methylthio)phenyl]methyl]-1-[(1-propyl-5-benzotriazolyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: N-[(4-methylsulfanylphenyl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-3-carboxamide Traditional Name: N-[4-(methylthio)benzyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-nipecotamide Formula: C23H29N5O3S2 MolecularWeight: 487.63806

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)NCC4=CC=C(C=C4)SC)N=N1

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)NCC4=CC=C(C=C4)SC)N=N1

InChI

InChI=1S/C23H29N5O3S2/c1-3-12-28-22-11-10-20(14-21(22)25-26-28)33(30,31)27-13-4-5-18(16-27)23(29)24-15-17-6-8-19(32-2)9-7-17/h6-11,14,18H,3-5,12-13,15-16H2,1-2H3,(H,24,29)