N-[1-(4-methoxyphenyl)-3-methyl-butyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-(4-methoxyphenyl)-3-methyl-butyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-benzylsulfonyl-N-[1-(4-methoxyphenyl)-3-methyl-butyl]piperidine-4-carboxamide CAS Name: N-[1-(4-methoxyphenyl)-3-methylbutyl]-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-N-[1-(4-methoxyphenyl)-3-methylbutyl]piperidine-4-carboxamide Traditional Name: 1-benzylsulfonyl-N-[1-(4-methoxyphenyl)-3-methyl-butyl]isonipecotamide Formula: C25H34N2O4S MolecularWeight: 458.61346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=C(C=C1)OC)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C1=CC=C(C=C1)OC)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C25H34N2O4S/c1-19(2)17-24(21-9-11-23(31-3)12-10-21)26-25(28)22-13-15-27(16-14-22)32(29,30)18-20-7-5-4-6-8-20/h4-12,19,22,24H,13-18H2,1-3H3,(H,26,28)