N-[3-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-keto-3-[(6-mesyl-1,3-benzothiazol-2-yl)amino]propyl]-4-nitro-benzamide Formula: C18H16N4O6S2 MolecularWeight: 448.47284

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O6S2/c1-30(27,28)13-6-7-14-15(10-13)29-18(20-14)21-16(23)8-9-19-17(24)11-2-4-12(5-3-11)22(25)26/h2-7,10H,8-9H2,1H3,(H,19,24)(H,20,21,23)