N-[4-(cyanomethyl)phenyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-[4-(cyanomethyl)phenyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-[4-(cyanomethyl)phenyl]-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-[4-(cyanomethyl)phenyl]-1-(4-methoxyphenyl)sulfonyl-nipecotamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C21H23N3O4S/c1-28-19-8-10-20(11-9-19)29(26,27)24-14-2-3-17(15-24)21(25)23-18-6-4-16(5-7-18)12-13-22/h4-11,17H,2-3,12,14-15H2,1H3,(H,23,25)