phenyl 3-(phenylmethyl)-4-propan-2-ylsulfonyl-pyrrole-1-sulfonate

Systemtic Name: phenyl 3-(phenylmethyl)-4-propan-2-ylsulfonyl-pyrrole-1-sulfonate Openeye Name: phenyl 3-benzyl-4-isopropylsulfonyl-pyrrole-1-sulfonate CAS Name: 3-(phenylmethyl)-4-propan-2-ylsulfonyl-1-pyrrolesulfonic acid phenyl ester IUPAC Name: phenyl 3-benzyl-4-propan-2-ylsulfonylpyrrole-1-sulfonate Traditional Name: 3-benzyl-4-isopropylsulfonyl-pyrrole-1-sulfonic acid phenyl ester Formula: C20H21NO5S2 MolecularWeight: 419.51444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CN(C=C1CC2=CC=CC=C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)S(=O)(=O)C1=CN(C=C1CC2=CC=CC=C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C20H21NO5S2/c1-16(2)27(22,23)20-15-21(14-18(20)13-17-9-5-3-6-10-17)28(24,25)26-19-11-7-4-8-12-19/h3-12,14-16H,13H2,1-2H3