4-[2-[(3-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[(3-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(3-morpholinosulfonylanilino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-keto-2-(3-morpholinosulfonylanilino)ethyl]thio]-3-nitro-benzamide Formula: C19H20N4O7S2 MolecularWeight: 480.5147

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O7S2/c20-19(25)13-4-5-17(16(10-13)23(26)27)31-12-18(24)21-14-2-1-3-15(11-14)32(28,29)22-6-8-30-9-7-22/h1-5,10-11H,6-9,12H2,(H2,20,25)(H,21,24)