N-[(4-methylsulfanylphenyl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-2-carboxamide

Systemtic Name: N-[(4-methylsulfanylphenyl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-2-carboxamide Openeye Name: N-[(4-methylsulfanylphenyl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-2-carboxamide CAS Name: N-[[4-(methylthio)phenyl]methyl]-1-[(1-propyl-5-benzotriazolyl)sulfonyl]-2-piperidinecarboxamide IUPAC Name: N-[(4-methylsulfanylphenyl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide Traditional Name: N-[4-(methylthio)benzyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-pipecolinamide Formula: C23H29N5O3S2 MolecularWeight: 487.63806

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3C(=O)NCC4=CC=C(C=C4)SC)N=N1

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3C(=O)NCC4=CC=C(C=C4)SC)N=N1

InChI

InChI=1S/C23H29N5O3S2/c1-3-13-27-21-12-11-19(15-20(21)25-26-27)33(30,31)28-14-5-4-6-22(28)23(29)24-16-17-7-9-18(32-2)10-8-17/h7-12,15,22H,3-6,13-14,16H2,1-2H3,(H,24,29)