(3S)-7-methylsulfonyl-3-(phenylmethyl)-4-thiophen-2-ylcarbonyl-1,3-dihydroquinoxalin-2-one

Systemtic Name: (3S)-7-methylsulfonyl-3-(phenylmethyl)-4-thiophen-2-ylcarbonyl-1,3-dihydroquinoxalin-2-one Openeye Name: (3S)-3-benzyl-7-methylsulfonyl-4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one CAS Name: (3S)-7-methylsulfonyl-4-[oxo(thiophen-2-yl)methyl]-3-(phenylmethyl)-1,3-dihydroquinoxalin-2-one IUPAC Name: (3S)-3-benzyl-7-methylsulfonyl-4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one Traditional Name: (3S)-3-benzyl-7-mesyl-4-(2-thenoyl)-1,3-dihydroquinoxalin-2-one Formula: C21H18N2O4S2 MolecularWeight: 426.50862

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N(C(C(=O)N2)CC3=CC=CC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N([C@H](C(=O)N2)CC3=CC=CC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H18N2O4S2/c1-29(26,27)15-9-10-17-16(13-15)22-20(24)18(12-14-6-3-2-4-7-14)23(17)21(25)19-8-5-11-28-19/h2-11,13,18H,12H2,1H3,(H,22,24)/t18-/m0/s1