methyl 3-[[4-[bis(2-methylpropyl)sulfamoyl]phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[4-[bis(2-methylpropyl)sulfamoyl]phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[4-(diisobutylsulfamoyl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-[bis(2-methylpropyl)sulfamoyl]anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-[bis(2-methylpropyl)sulfamoyl]phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(diisobutylsulfamoyl)phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C23H29N3O7S MolecularWeight: 491.55726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)CN(CC(C)C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C23H29N3O7S/c1-15(2)13-25(14-16(3)4)34(31,32)21-8-6-19(7-9-21)24-22(27)17-10-18(23(28)33-5)12-20(11-17)26(29)30/h6-12,15-16H,13-14H2,1-5H3,(H,24,27)