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

Systemtic Name: N-[4-(cyanomethyl)phenyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Openeye Name: N-[4-(cyanomethyl)phenyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide CAS Name: N-[4-(cyanomethyl)phenyl]-1-(3-phenylpropylsulfonyl)-3-piperidinecarboxamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Traditional Name: N-[4-(cyanomethyl)phenyl]-1-(3-phenylpropylsulfonyl)nipecotamide Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)CCCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)CCCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C23H27N3O3S/c24-15-14-20-10-12-22(13-11-20)25-23(27)21-9-4-16-26(18-21)30(28,29)17-5-8-19-6-2-1-3-7-19/h1-3,6-7,10-13,21H,4-5,8-9,14,16-18H2,(H,25,27)