phenyl 4-propan-2-ylsulfonyl-1-propyl-pyrrole-3-sulfonate

Systemtic Name: phenyl 4-propan-2-ylsulfonyl-1-propyl-pyrrole-3-sulfonate Openeye Name: phenyl 4-isopropylsulfonyl-1-propyl-pyrrole-3-sulfonate CAS Name: 4-propan-2-ylsulfonyl-1-propyl-3-pyrrolesulfonic acid phenyl ester IUPAC Name: phenyl 4-propan-2-ylsulfonyl-1-propylpyrrole-3-sulfonate Traditional Name: 4-isopropylsulfonyl-1-propyl-pyrrole-3-sulfonic acid phenyl ester Formula: C16H21NO5S2 MolecularWeight: 371.47164

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=C1)S(=O)(=O)OC2=CC=CC=C2)S(=O)(=O)C(C)C

Isomeric SMILES

CCCN1C=C(C(=C1)S(=O)(=O)OC2=CC=CC=C2)S(=O)(=O)C(C)C

InChI

InChI=1S/C16H21NO5S2/c1-4-10-17-11-15(23(18,19)13(2)3)16(12-17)24(20,21)22-14-8-6-5-7-9-14/h5-9,11-13H,4,10H2,1-3H3