N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-[(2-nitrophenyl)amino]propanamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-[(2-nitrophenyl)amino]propanamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(2-nitroanilino)propanamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(2-nitroanilino)propanamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(2-nitroanilino)propanamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-3-(2-nitroanilino)propionamide Formula: C17H16N4O5S2 MolecularWeight: 420.46274

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O5S2/c1-28(25,26)11-6-7-13-15(10-11)27-17(19-13)20-16(22)8-9-18-12-4-2-3-5-14(12)21(23)24/h2-7,10,18H,8-9H2,1H3,(H,19,20,22)