N-[(3R)-1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-4-tert-butyl-N-(phenylmethyl)cyclohexane-1-carboxamide

Systemtic Name: N-[(3R)-1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-4-tert-butyl-N-(phenylmethyl)cyclohexane-1-carboxamide Openeye Name: N-benzyl-4-tert-butyl-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclohexanecarboxamide CAS Name: 4-tert-butyl-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(phenylmethyl)-1-cyclohexanecarboxamide IUPAC Name: N-benzyl-4-tert-butyl-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclohexane-1-carboxamide Traditional Name: N-benzyl-4-tert-butyl-N-[(3R)-1,1-diketo-2,3-dihydrothiophen-3-yl]cyclohexanecarboxamide Formula: C22H31NO3S MolecularWeight: 389.55144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)C(=O)N(CC2=CC=CC=C2)C3CS(=O)(=O)C=C3

Isomeric SMILES

CC(C)(C)C1CCC(CC1)C(=O)N(CC2=CC=CC=C2)[C@H]3CS(=O)(=O)C=C3

InChI

InChI=1S/C22H31NO3S/c1-22(2,3)19-11-9-18(10-12-19)21(24)23(15-17-7-5-4-6-8-17)20-13-14-27(25,26)16-20/h4-8,13-14,18-20H,9-12,15-16H2,1-3H3/t18?,19?,20-/m1/s1