(1S)-N-[(4-methylphenyl)sulfonylmethyl]-3-oxidanylidene-2-(thiophen-2-ylmethyl)-1H-isoindole-1-carboxamide

Systemtic Name: (1S)-N-[(4-methylphenyl)sulfonylmethyl]-3-oxidanylidene-2-(thiophen-2-ylmethyl)-1H-isoindole-1-carboxamide Openeye Name: (1S)-3-oxo-N-(p-tolylsulfonylmethyl)-2-(2-thienylmethyl)isoindoline-1-carboxamide CAS Name: (1S)-N-[(4-methylphenyl)sulfonylmethyl]-3-oxo-2-(thiophen-2-ylmethyl)-1H-isoindole-1-carboxamide IUPAC Name: (1S)-N-[(4-methylphenyl)sulfonylmethyl]-3-oxo-2-(thiophen-2-ylmethyl)-1H-isoindole-1-carboxamide Traditional Name: (1S)-3-keto-2-(2-thenyl)-N-(tosylmethyl)isoindoline-1-carboxamide Formula: C22H20N2O4S2 MolecularWeight: 440.5352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CNC(=O)C2C3=CC=CC=C3C(=O)N2CC4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CNC(=O)[C@@H]2C3=CC=CC=C3C(=O)N2CC4=CC=CS4

InChI

InChI=1S/C22H20N2O4S2/c1-15-8-10-17(11-9-15)30(27,28)14-23-21(25)20-18-6-2-3-7-19(18)22(26)24(20)13-16-5-4-12-29-16/h2-12,20H,13-14H2,1H3,(H,23,25)/t20-/m0/s1