[2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-[(4-butylphenyl)sulfamoyl]-4-methyl-benzoate

Systemtic Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-[(4-butylphenyl)sulfamoyl]-4-methyl-benzoate Openeye Name: [2-[(5-nitrothiazol-2-yl)amino]-2-oxo-ethyl] 3-[(4-butylphenyl)sulfamoyl]-4-methyl-benzoate CAS Name: 3-[(4-butylphenyl)sulfamoyl]-4-methylbenzoic acid [2-[(5-nitro-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3-[(4-butylphenyl)sulfamoyl]-4-methylbenzoate Traditional Name: 3-[(4-butylphenyl)sulfamoyl]-4-methyl-benzoic acid [2-keto-2-[(5-nitrothiazol-2-yl)amino]ethyl] ester Formula: C23H24N4O7S2 MolecularWeight: 532.58926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=NC=C(S3)[N+](=O)[O-])C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=NC=C(S3)[N+](=O)[O-])C

InChI

InChI=1S/C23H24N4O7S2/c1-3-4-5-16-7-10-18(11-8-16)26-36(32,33)19-12-17(9-6-15(19)2)22(29)34-14-20(28)25-23-24-13-21(35-23)27(30)31/h6-13,26H,3-5,14H2,1-2H3,(H,24,25,28)