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

Systemtic Name: 3-hexyl-2-phenyl-1-(phenylsulfonyl)-5-propan-2-yl-pyrrole Openeye Name: 1-(benzenesulfonyl)-3-hexyl-5-isopropyl-2-phenyl-pyrrole CAS Name: 1-(benzenesulfonyl)-3-hexyl-2-phenyl-5-propan-2-ylpyrrole IUPAC Name: 1-(benzenesulfonyl)-3-hexyl-2-phenyl-5-propan-2-ylpyrrole Traditional Name: 1-besyl-3-hexyl-5-isopropyl-2-phenyl-pyrrole Formula: C25H31NO2S MolecularWeight: 409.58414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(N(C(=C1)C(C)C)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCC1=C(N(C(=C1)C(C)C)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H31NO2S/c1-4-5-6-9-16-22-19-24(20(2)3)26(25(22)21-14-10-7-11-15-21)29(27,28)23-17-12-8-13-18-23/h7-8,10-15,17-20H,4-6,9,16H2,1-3H3