phenyl 3-methylsulfanyl-4-(phenylmethyl)pyrrole-1-sulfonate

Systemtic Name: phenyl 3-methylsulfanyl-4-(phenylmethyl)pyrrole-1-sulfonate Openeye Name: phenyl 3-benzyl-4-methylsulfanyl-pyrrole-1-sulfonate CAS Name: 3-(methylthio)-4-(phenylmethyl)-1-pyrrolesulfonic acid phenyl ester IUPAC Name: phenyl 3-benzyl-4-methylsulfanylpyrrole-1-sulfonate Traditional Name: 3-benzyl-4-(methylthio)pyrrole-1-sulfonic acid phenyl ester Formula: C18H17NO3S2 MolecularWeight: 359.46248

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CN(C=C1CC2=CC=CC=C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CSC1=CN(C=C1CC2=CC=CC=C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C18H17NO3S2/c1-23-18-14-19(13-16(18)12-15-8-4-2-5-9-15)24(20,21)22-17-10-6-3-7-11-17/h2-11,13-14H,12H2,1H3