1-(1-tert-butyl-5-oxidanylidene-pyrrolidin-3-yl)carbonyl-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-(1-tert-butyl-5-oxidanylidene-pyrrolidin-3-yl)carbonyl-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: 1-(1-tert-butyl-5-oxo-pyrrolidine-3-carbonyl)-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide CAS Name: 1-[(1-tert-butyl-5-oxo-3-pyrrolidinyl)-oxomethyl]-N-[2-(phenylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-(1-tert-butyl-5-keto-pyrrolidine-3-carbonyl)-N-[2-(phenylthio)phenyl]isonipecotamide Formula: C27H33N3O3S MolecularWeight: 479.63422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CC(CC1=O)C(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3SC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)N1CC(CC1=O)C(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3SC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O3S/c1-27(2,3)30-18-20(17-24(30)31)26(33)29-15-13-19(14-16-29)25(32)28-22-11-7-8-12-23(22)34-21-9-5-4-6-10-21/h4-12,19-20H,13-18H2,1-3H3,(H,28,32)