[2-(2-methylsulfonylethyl)-2H-1,5-benzothiazepin-5-yl]-(4-nitrophenyl)methanone

Systemtic Name: [2-(2-methylsulfonylethyl)-2H-1,5-benzothiazepin-5-yl]-(4-nitrophenyl)methanone Openeye Name: [2-(2-methylsulfonylethyl)-2H-1,5-benzothiazepin-5-yl]-(4-nitrophenyl)methanone CAS Name: [2-(2-methylsulfonylethyl)-2H-1,5-benzothiazepin-5-yl]-(4-nitrophenyl)methanone IUPAC Name: [2-(2-methylsulfonylethyl)-2H-1,5-benzothiazepin-5-yl]-(4-nitrophenyl)methanone Traditional Name: [2-(2-mesylethyl)-2H-1,5-benzothiazepin-5-yl]-(4-nitrophenyl)methanone Formula: C19H18N2O5S2 MolecularWeight: 418.48662

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC1C=CN(C2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)CCC1C=CN(C2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O5S2/c1-28(25,26)13-11-16-10-12-20(17-4-2-3-5-18(17)27-16)19(22)14-6-8-15(9-7-14)21(23)24/h2-10,12,16H,11,13H2,1H3