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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CN(C=C1S(=O)(=O)OC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CSC1=CN(C=C1S(=O)(=O)OC2=CC=CC=C2)CC3=CC=CC=C3

InChI

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