3-hexyl-5-methoxy-1-(4-methylphenyl)sulfonyl-5-propan-2-yl-pyrrol-2-one

Systemtic Name: 3-hexyl-5-methoxy-1-(4-methylphenyl)sulfonyl-5-propan-2-yl-pyrrol-2-one Openeye Name: 3-hexyl-5-isopropyl-5-methoxy-1-(p-tolylsulfonyl)pyrrol-2-one CAS Name: 3-hexyl-5-methoxy-1-(4-methylphenyl)sulfonyl-5-propan-2-yl-2-pyrrolone IUPAC Name: 3-hexyl-5-methoxy-1-(4-methylphenyl)sulfonyl-5-propan-2-ylpyrrol-2-one Traditional Name: 3-hexyl-5-isopropyl-5-methoxy-1-tosyl-3-pyrrolin-2-one Formula: C21H31NO4S MolecularWeight: 393.54014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO4S/c1-6-7-8-9-10-18-15-21(26-5,16(2)3)22(20(18)23)27(24,25)19-13-11-17(4)12-14-19/h11-16H,6-10H2,1-5H3