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

Systemtic Name: dimethyl (2S)-2-[[4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzothiazin-7-yl]carbonylamino]hexanedioate Openeye Name: dimethyl (2S)-2-[[4-(p-tolylsulfonyl)-2,3-dihydro-1,4-benzothiazine-7-carbonyl]amino]hexanedioate CAS Name: (2S)-2-[[[4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzothiazin-7-yl]-oxomethyl]amino]hexanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[[4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine-7-carbonyl]amino]hexanedioate Traditional Name: (2S)-2-[(4-tosyl-2,3-dihydro-1,4-benzothiazine-7-carbonyl)amino]adipic acid dimethyl ester Formula: C24H28N2O7S2 MolecularWeight: 520.61832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCSC3=C2C=CC(=C3)C(=O)NC(CCCC(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCSC3=C2C=CC(=C3)C(=O)N[C@@H](CCCC(=O)OC)C(=O)OC

InChI

InChI=1S/C24H28N2O7S2/c1-16-7-10-18(11-8-16)35(30,31)26-13-14-34-21-15-17(9-12-20(21)26)23(28)25-19(24(29)33-3)5-4-6-22(27)32-2/h7-12,15,19H,4-6,13-14H2,1-3H3,(H,25,28)/t19-/m0/s1