N-[(4-methylsulfanylphenyl)methyl]-1-(1-propan-2-ylbenzotriazol-5-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[(4-methylsulfanylphenyl)methyl]-1-(1-propan-2-ylbenzotriazol-5-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: 1-(1-isopropylbenzotriazol-5-yl)sulfonyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide CAS Name: N-[[4-(methylthio)phenyl]methyl]-1-[(1-propan-2-yl-5-benzotriazolyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: N-[(4-methylsulfanylphenyl)methyl]-1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpiperidine-3-carboxamide Traditional Name: 1-(1-isopropylbenzotriazol-5-yl)sulfonyl-N-[4-(methylthio)benzyl]nipecotamide Formula: C23H29N5O3S2 MolecularWeight: 487.63806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)NCC4=CC=C(C=C4)SC)N=N1

Isomeric SMILES

CC(C)N1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)NCC4=CC=C(C=C4)SC)N=N1

InChI

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