diethyl (2S)-2-[[4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzothiazin-7-yl]carbonylamino]pentanedioate

Systemtic Name: diethyl (2S)-2-[[4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzothiazin-7-yl]carbonylamino]pentanedioate Openeye Name: diethyl (2S)-2-[[4-(p-tolylsulfonyl)-2,3-dihydro-1,4-benzothiazine-7-carbonyl]amino]pentanedioate CAS Name: (2S)-2-[[[4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzothiazin-7-yl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[[4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine-7-carbonyl]amino]pentanedioate Traditional Name: (2S)-2-[(4-tosyl-2,3-dihydro-1,4-benzothiazine-7-carbonyl)amino]glutaric acid diethyl ester Formula: C25H30N2O7S2 MolecularWeight: 534.6449

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC2=C(C=C1)N(CCS2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC2=C(C=C1)N(CCS2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H30N2O7S2/c1-4-33-23(28)13-11-20(25(30)34-5-2)26-24(29)18-8-12-21-22(16-18)35-15-14-27(21)36(31,32)19-9-6-17(3)7-10-19/h6-10,12,16,20H,4-5,11,13-15H2,1-3H3,(H,26,29)/t20-/m0/s1