S-[2-[[4-(quinoxalin-2-ylsulfamoyl)phenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate

Systemtic Name: S-[2-[[4-(quinoxalin-2-ylsulfamoyl)phenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate Openeye Name: S-[2-[[4-(quinoxalin-2-ylsulfamoyl)phenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate CAS Name: 5-(1-pyridin-1-iumyl)pentanethioic acid S-[2-[oxo-[4-(2-quinoxalinylsulfamoyl)anilino]methyl]phenyl] ester IUPAC Name: S-[2-[[4-(quinoxalin-2-ylsulfamoyl)phenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate Traditional Name: 5-pyridin-1-ium-1-ylpentanethioic acid S-[2-[[4-(quinoxalin-2-ylsulfamoyl)phenyl]carbamoyl]phenyl] ester Formula: C31H28N5O4S2+ MolecularWeight: 598.71512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CCCCC(=O)SC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC5=CC=CC=C5N=C4

Isomeric SMILES

C1=CC=[N+](C=C1)CCCCC(=O)SC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC5=CC=CC=C5N=C4

InChI

InChI=1S/C31H27N5O4S2/c37-30(14-6-9-21-36-19-7-1-8-20-36)41-28-13-5-2-10-25(28)31(38)33-23-15-17-24(18-16-23)42(39,40)35-29-22-32-26-11-3-4-12-27(26)34-29/h1-5,7-8,10-13,15-20,22H,6,9,14,21H2,(H-,33,34,35,38)/p+1