N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-prop-2-enyl-pyrrol-2-yl]pentanamide

Systemtic Name: N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-prop-2-enyl-pyrrol-2-yl]pentanamide Openeye Name: N-[1-allyl-3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-pyrrol-2-yl]pentanamide CAS Name: N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-prop-2-enyl-2-pyrrolyl]pentanamide IUPAC Name: N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-prop-2-enylpyrrol-2-yl]pentanamide Traditional Name: N-[1-allyl-3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-pyrrol-2-yl]valeramide Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C(=C(N1CC=C)C)C)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCC(=O)NC1=C(C(=C(N1CC=C)C)C)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H28N2O4S/c1-6-8-9-19(24)22-21-20(15(3)16(4)23(21)14-7-2)28(25,26)18-12-10-17(27-5)11-13-18/h7,10-13H,2,6,8-9,14H2,1,3-5H3,(H,22,24)