[2-(3,3-diphenylpropylamino)-2-oxidanylidene-ethyl] 2-methyl-5-sulfamoyl-benzoate

Systemtic Name: [2-(3,3-diphenylpropylamino)-2-oxidanylidene-ethyl] 2-methyl-5-sulfamoyl-benzoate Openeye Name: [2-(3,3-diphenylpropylamino)-2-oxo-ethyl] 2-methyl-5-sulfamoyl-benzoate CAS Name: 2-methyl-5-sulfamoylbenzoic acid [2-(3,3-diphenylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,3-diphenylpropylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate Traditional Name: 2-methyl-5-sulfamoyl-benzoic acid [2-(3,3-diphenylpropylamino)-2-keto-ethyl] ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCC(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCC(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H26N2O5S/c1-18-12-13-21(33(26,30)31)16-23(18)25(29)32-17-24(28)27-15-14-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,16,22H,14-15,17H2,1H3,(H,27,28)(H2,26,30,31)