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

Systemtic Name: phenyl 3,4-bis(propan-2-ylsulfonyl)pyrrole-1-sulfonate Openeye Name: phenyl 3,4-bis(isopropylsulfonyl)pyrrole-1-sulfonate CAS Name: 3,4-bis(propan-2-ylsulfonyl)-1-pyrrolesulfonic acid phenyl ester IUPAC Name: phenyl 3,4-bis(propan-2-ylsulfonyl)pyrrole-1-sulfonate Traditional Name: 3,4-bis(isopropylsulfonyl)pyrrole-1-sulfonic acid phenyl ester Formula: C16H21NO7S3 MolecularWeight: 435.53544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO7S3/c1-12(2)25(18,19)15-10-17(11-16(15)26(20,21)13(3)4)27(22,23)24-14-8-6-5-7-9-14/h5-13H,1-4H3