S-[2-[[4-[(2-phenylpyrazol-3-yl)sulfamoyl]phenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate

Systemtic Name: S-[2-[[4-[(2-phenylpyrazol-3-yl)sulfamoyl]phenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate Openeye Name: S-[2-[[4-[(2-phenylpyrazol-3-yl)sulfamoyl]phenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate CAS Name: 5-(1-pyridin-1-iumyl)pentanethioic acid S-[2-[oxo-[4-[(2-phenyl-3-pyrazolyl)sulfamoyl]anilino]methyl]phenyl] ester IUPAC Name: S-[2-[[4-[(2-phenylpyrazol-3-yl)sulfamoyl]phenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate Traditional Name: 5-pyridin-1-ium-1-ylpentanethioic acid S-[2-[[4-[(2-phenylpyrazol-3-yl)sulfamoyl]phenyl]carbamoyl]phenyl] ester Formula: C32H30N5O4S2+ MolecularWeight: 612.7417

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=CC=N2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4SC(=O)CCCC[N+]5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=CC=N2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4SC(=O)CCCC[N+]5=CC=CC=C5

InChI

InChI=1S/C32H29N5O4S2/c38-31(15-7-10-24-36-22-8-2-9-23-36)42-29-14-6-5-13-28(29)32(39)34-25-16-18-27(19-17-25)43(40,41)35-30-20-21-33-37(30)26-11-3-1-4-12-26/h1-6,8-9,11-14,16-23H,7,10,15,24H2,(H-,33,34,35,39)/p+1