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

Systemtic Name: S-[2-[[4-[4-(thiophen-2-ylcarbonylamino)phenyl]sulfonylphenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate Openeye Name: S-[2-[[4-[4-(thiophene-2-carbonylamino)phenyl]sulfonylphenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate CAS Name: 5-(1-pyridin-1-iumyl)pentanethioic acid S-[2-[oxo-[4-[4-[[oxo(thiophen-2-yl)methyl]amino]phenyl]sulfonylanilino]methyl]phenyl] ester IUPAC Name: S-[2-[[4-[4-(thiophene-2-carbonylamino)phenyl]sulfonylphenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate Traditional Name: 5-pyridin-1-ium-1-ylpentanethioic acid S-[2-[[4-[4-(2-thenoylamino)phenyl]sulfonylphenyl]carbamoyl]phenyl] ester Formula: C34H30N3O5S3+ MolecularWeight: 656.8141

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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)NC(=O)C5=CC=CS5

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)NC(=O)C5=CC=CS5

InChI

InChI=1S/C34H29N3O5S3/c38-32(12-4-7-23-37-21-5-1-6-22-37)44-30-10-3-2-9-29(30)33(39)35-25-13-17-27(18-14-25)45(41,42)28-19-15-26(16-20-28)36-34(40)31-11-8-24-43-31/h1-3,5-6,8-11,13-22,24H,4,7,12,23H2,(H-,35,36,39,40)/p+1