1-[4-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-(4-methyl-3-morpholinosulfonyl-anilino)-3-nitro-phenyl]ethanone CAS Name: 1-[4-[4-methyl-3-(4-morpholinylsulfonyl)anilino]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-(4-methyl-3-morpholin-4-ylsulfonylanilino)-3-nitrophenyl]ethanone Traditional Name: 1-[4-(4-methyl-3-morpholinosulfonyl-anilino)-3-nitro-phenyl]ethanone Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H21N3O6S/c1-13-3-5-16(12-19(13)29(26,27)21-7-9-28-10-8-21)20-17-6-4-15(14(2)23)11-18(17)22(24)25/h3-6,11-12,20H,7-10H2,1-2H3