N-[1-[2-(tert-butylsulfonylmethyl)-1-(methylamino)-4-propan-2-yl-cyclohexyl]-2-oxidanylidene-pyrrolidin-3-yl]-5-phenyl-pyridine-3-carboxamide

Systemtic Name: N-[1-[2-(tert-butylsulfonylmethyl)-1-(methylamino)-4-propan-2-yl-cyclohexyl]-2-oxidanylidene-pyrrolidin-3-yl]-5-phenyl-pyridine-3-carboxamide Openeye Name: N-[1-[2-(tert-butylsulfonylmethyl)-4-isopropyl-1-(methylamino)cyclohexyl]-2-oxo-pyrrolidin-3-yl]-5-phenyl-pyridine-3-carboxamide CAS Name: N-[1-[2-(tert-butylsulfonylmethyl)-1-(methylamino)-4-propan-2-ylcyclohexyl]-2-oxo-3-pyrrolidinyl]-5-phenyl-3-pyridinecarboxamide IUPAC Name: N-[1-[2-(tert-butylsulfonylmethyl)-1-(methylamino)-4-propan-2-ylcyclohexyl]-2-oxopyrrolidin-3-yl]-5-phenylpyridine-3-carboxamide Traditional Name: N-[1-[2-(tert-butylsulfonylmethyl)-4-isopropyl-1-(methylamino)cyclohexyl]-2-keto-pyrrolidin-3-yl]-5-phenyl-nicotinamide Formula: C31H44N4O4S MolecularWeight: 568.77046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCC(C(C1)CS(=O)(=O)C(C)(C)C)(NC)N2CCC(C2=O)NC(=O)C3=CN=CC(=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)C1CCC(C(C1)CS(=O)(=O)C(C)(C)C)(NC)N2CCC(C2=O)NC(=O)C3=CN=CC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H44N4O4S/c1-21(2)23-12-14-31(32-6,26(17-23)20-40(38,39)30(3,4)5)35-15-13-27(29(35)37)34-28(36)25-16-24(18-33-19-25)22-10-8-7-9-11-22/h7-11,16,18-19,21,23,26-27,32H,12-15,17,20H2,1-6H3,(H,34,36)