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

Systemtic Name: phenyl 4-(phenylmethyl)-1-propan-2-ylsulfonyl-pyrrole-3-sulfonate Openeye Name: phenyl 4-benzyl-1-isopropylsulfonyl-pyrrole-3-sulfonate CAS Name: 4-(phenylmethyl)-1-propan-2-ylsulfonyl-3-pyrrolesulfonic acid phenyl ester IUPAC Name: phenyl 4-benzyl-1-propan-2-ylsulfonylpyrrole-3-sulfonate Traditional Name: 4-benzyl-1-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)N1C=C(C(=C1)S(=O)(=O)OC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)S(=O)(=O)N1C=C(C(=C1)S(=O)(=O)OC2=CC=CC=C2)CC3=CC=CC=C3

InChI

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