4-[2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(4-methyl-3-morpholinosulfonyl-anilino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[4-methyl-3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-keto-2-(4-methyl-3-morpholinosulfonyl-anilino)ethyl]thio]-3-nitro-benzamide Formula: C20H22N4O7S2 MolecularWeight: 494.54128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H22N4O7S2/c1-13-2-4-15(11-18(13)33(29,30)23-6-8-31-9-7-23)22-19(25)12-32-17-5-3-14(20(21)26)10-16(17)24(27)28/h2-5,10-11H,6-9,12H2,1H3,(H2,21,26)(H,22,25)