S-[2-[[4-[4-(oxidanylamino)phenyl]sulfonylphenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate

Systemtic Name: S-[2-[[4-[4-(oxidanylamino)phenyl]sulfonylphenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate Openeye Name: S-[2-[[4-[4-(hydroxyamino)phenyl]sulfonylphenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate CAS Name: 5-(1-pyridin-1-iumyl)pentanethioic acid S-[2-[[4-[4-(hydroxyamino)phenyl]sulfonylanilino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[[4-[4-(hydroxyamino)phenyl]sulfonylphenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate Traditional Name: 5-pyridin-1-ium-1-ylpentanethioic acid S-[2-[[4-[4-(hydroxyamino)phenyl]sulfonylphenyl]carbamoyl]phenyl] ester Formula: C29H28N3O5S2+ MolecularWeight: 562.67972

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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)C4=CC=C(C=C4)NO

Isomeric SMILES

C1=CC=[N+](C=C1)CCCCC(=O)SC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)NO

InChI

InChI=1S/C29H27N3O5S2/c33-28(10-4-7-21-32-19-5-1-6-20-32)38-27-9-3-2-8-26(27)29(34)30-22-11-15-24(16-12-22)39(36,37)25-17-13-23(31-35)14-18-25/h1-3,5-6,8-9,11-20,31,35H,4,7,10,21H2/p+1