methyl 4-hexyl-5-phenyl-1-(phenylsulfonyl)-2-propan-2-yl-pyrrole-3-carboxylate

Systemtic Name: methyl 4-hexyl-5-phenyl-1-(phenylsulfonyl)-2-propan-2-yl-pyrrole-3-carboxylate Openeye Name: methyl 1-(benzenesulfonyl)-4-hexyl-2-isopropyl-5-phenyl-pyrrole-3-carboxylate CAS Name: 1-(benzenesulfonyl)-4-hexyl-5-phenyl-2-propan-2-yl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-(benzenesulfonyl)-4-hexyl-5-phenyl-2-propan-2-ylpyrrole-3-carboxylate Traditional Name: 1-besyl-4-hexyl-2-isopropyl-5-phenyl-pyrrole-3-carboxylic acid methyl ester Formula: C27H33NO4S MolecularWeight: 467.62022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(N(C(=C1C(=O)OC)C(C)C)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCC1=C(N(C(=C1C(=O)OC)C(C)C)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H33NO4S/c1-5-6-7-14-19-23-24(27(29)32-4)25(20(2)3)28(26(23)21-15-10-8-11-16-21)33(30,31)22-17-12-9-13-18-22/h8-13,15-18,20H,5-7,14,19H2,1-4H3