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

Systemtic Name: N-[4,5-dimethyl-3-(phenylsulfonyl)-1-prop-2-enyl-pyrrol-2-yl]pentanamide Openeye Name: N-[1-allyl-3-(benzenesulfonyl)-4,5-dimethyl-pyrrol-2-yl]pentanamide CAS Name: N-[3-(benzenesulfonyl)-4,5-dimethyl-1-prop-2-enyl-2-pyrrolyl]pentanamide IUPAC Name: N-[3-(benzenesulfonyl)-4,5-dimethyl-1-prop-2-enylpyrrol-2-yl]pentanamide Traditional Name: N-(1-allyl-3-besyl-4,5-dimethyl-pyrrol-2-yl)valeramide Formula: C20H26N2O3S MolecularWeight: 374.49704

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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=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3S/c1-5-7-13-18(23)21-20-19(15(3)16(4)22(20)14-6-2)26(24,25)17-11-9-8-10-12-17/h6,8-12H,2,5,7,13-14H2,1,3-4H3,(H,21,23)