[2-[cyclopropylmethyl(propyl)amino]-2-oxidanylidene-ethyl] 2-[(2-methyl-5-nitro-phenyl)sulfonylamino]benzoate

Systemtic Name: [2-[cyclopropylmethyl(propyl)amino]-2-oxidanylidene-ethyl] 2-[(2-methyl-5-nitro-phenyl)sulfonylamino]benzoate Openeye Name: [2-[cyclopropylmethyl(propyl)amino]-2-oxo-ethyl] 2-[(2-methyl-5-nitro-phenyl)sulfonylamino]benzoate CAS Name: 2-[(2-methyl-5-nitrophenyl)sulfonylamino]benzoic acid [2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] 2-[(2-methyl-5-nitrophenyl)sulfonylamino]benzoate Traditional Name: 2-[(2-methyl-5-nitro-phenyl)sulfonylamino]benzoic acid [2-[cyclopropylmethyl(propyl)amino]-2-keto-ethyl] ester Formula: C23H27N3O7S MolecularWeight: 489.54138

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1CC1)C(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCCN(CC1CC1)C(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C23H27N3O7S/c1-3-12-25(14-17-9-10-17)22(27)15-33-23(28)19-6-4-5-7-20(19)24-34(31,32)21-13-18(26(29)30)11-8-16(21)2/h4-8,11,13,17,24H,3,9-10,12,14-15H2,1-2H3