[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-[(4-butylphenyl)sulfamoyl]-4-methyl-benzoate

Systemtic Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-[(4-butylphenyl)sulfamoyl]-4-methyl-benzoate Openeye Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 3-[(4-butylphenyl)sulfamoyl]-4-methyl-benzoate CAS Name: 3-[(4-butylphenyl)sulfamoyl]-4-methylbenzoic acid [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 3-[(4-butylphenyl)sulfamoyl]-4-methylbenzoate Traditional Name: 3-[(4-butylphenyl)sulfamoyl]-4-methyl-benzoic acid [2-keto-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C27H26N4O7S2 MolecularWeight: 582.64794

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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=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C27H26N4O7S2/c1-3-4-5-18-7-10-20(11-8-18)30-40(36,37)24-14-19(9-6-17(24)2)26(33)38-16-25(32)29-27-28-22-13-12-21(31(34)35)15-23(22)39-27/h6-15,30H,3-5,16H2,1-2H3,(H,28,29,32)