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

Systemtic Name: phenyl 1-(phenylmethyl)-4-propan-2-ylsulfonyl-pyrrole-3-sulfonate Openeye Name: phenyl 1-benzyl-4-isopropylsulfonyl-pyrrole-3-sulfonate CAS Name: 1-(phenylmethyl)-4-propan-2-ylsulfonyl-3-pyrrolesulfonic acid phenyl ester IUPAC Name: phenyl 1-benzyl-4-propan-2-ylsulfonylpyrrole-3-sulfonate Traditional Name: 1-benzyl-4-isopropylsulfonyl-pyrrole-3-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=C1S(=O)(=O)OC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)S(=O)(=O)C1=CN(C=C1S(=O)(=O)OC2=CC=CC=C2)CC3=CC=CC=C3

InChI

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