methyl 4-hexyl-2,5-diphenyl-1-(phenylsulfonyl)pyrrole-3-carboxylate

Systemtic Name: methyl 4-hexyl-2,5-diphenyl-1-(phenylsulfonyl)pyrrole-3-carboxylate Openeye Name: methyl 1-(benzenesulfonyl)-4-hexyl-2,5-diphenyl-pyrrole-3-carboxylate CAS Name: 1-(benzenesulfonyl)-4-hexyl-2,5-diphenyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-(benzenesulfonyl)-4-hexyl-2,5-diphenylpyrrole-3-carboxylate Traditional Name: 1-besyl-4-hexyl-2,5-diphenyl-pyrrole-3-carboxylic acid methyl ester Formula: C30H31NO4S MolecularWeight: 501.63644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(N(C(=C1C(=O)OC)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCC1=C(N(C(=C1C(=O)OC)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H31NO4S/c1-3-4-5-15-22-26-27(30(32)35-2)29(24-18-11-7-12-19-24)31(28(26)23-16-9-6-10-17-23)36(33,34)25-20-13-8-14-21-25/h6-14,16-21H,3-5,15,22H2,1-2H3