[4-[[2-(1H-indol-3-yl)ethanoylamino]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[[2-(1H-indol-3-yl)ethanoylamino]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[[[2-(1H-indol-3-yl)acetyl]amino]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[[2-(1H-indol-3-yl)-1-oxoethyl]hydrazo]-oxomethyl]phenyl] ester IUPAC Name: [4-[[[2-(1H-indol-3-yl)acetyl]amino]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[[[2-(1H-indol-3-yl)acetyl]amino]carbamoyl]phenyl] ester Formula: C25H23N3O5S MolecularWeight: 477.53222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NNC(=O)CC3=CNC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NNC(=O)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C25H23N3O5S/c1-16-7-8-17(2)23(13-16)34(31,32)33-20-11-9-18(10-12-20)25(30)28-27-24(29)14-19-15-26-22-6-4-3-5-21(19)22/h3-13,15,26H,14H2,1-2H3,(H,27,29)(H,28,30)