S-[2-[(4-sulfamoylphenyl)methylcarbamoyl]phenyl] 4-pyridin-1-ium-1-ylbutanethioate chloride

Systemtic Name: S-[2-[(4-sulfamoylphenyl)methylcarbamoyl]phenyl] 4-pyridin-1-ium-1-ylbutanethioate chloride Openeye Name: S-[2-[(4-sulfamoylphenyl)methylcarbamoyl]phenyl] 4-pyridin-1-ium-1-ylbutanethioate chloride CAS Name: 4-(1-pyridin-1-iumyl)butanethioic acid S-[2-[oxo-[(4-sulfamoylphenyl)methylamino]methyl]phenyl] ester chloride IUPAC Name: S-[2-[(4-sulfamoylphenyl)methylcarbamoyl]phenyl] 4-pyridin-1-ium-1-ylbutanethioate chloride Traditional Name: 4-pyridin-1-ium-1-ylbutanethioic acid S-[2-[(4-sulfamoylbenzyl)carbamoyl]phenyl] ester chloride Formula: C23H24ClN3O4S2 MolecularWeight: 506.03736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CCCC(=O)SC2=CC=CC=C2C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N.[Cl-]

Isomeric SMILES

C1=CC=[N+](C=C1)CCCC(=O)SC2=CC=CC=C2C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N.[Cl-]

InChI

InChI=1S/C23H23N3O4S2.ClH/c24-32(29,30)19-12-10-18(11-13-19)17-25-23(28)20-7-2-3-8-21(20)31-22(27)9-6-16-26-14-4-1-5-15-26;/h1-5,7-8,10-15H,6,9,16-17H2,(H2-,24,25,28,29,30);1H