N-[1-(2-methoxyethyl)-4,5-dimethyl-3-(4-methylphenyl)sulfonyl-pyrrol-2-yl]pentanamide

Systemtic Name: N-[1-(2-methoxyethyl)-4,5-dimethyl-3-(4-methylphenyl)sulfonyl-pyrrol-2-yl]pentanamide Openeye Name: N-[1-(2-methoxyethyl)-4,5-dimethyl-3-(p-tolylsulfonyl)pyrrol-2-yl]pentanamide CAS Name: N-[1-(2-methoxyethyl)-4,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-pyrrolyl]pentanamide IUPAC Name: N-[1-(2-methoxyethyl)-4,5-dimethyl-3-(4-methylphenyl)sulfonylpyrrol-2-yl]pentanamide Traditional Name: N-[1-(2-methoxyethyl)-4,5-dimethyl-3-tosyl-pyrrol-2-yl]valeramide Formula: C21H30N2O4S MolecularWeight: 406.5389

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C(=C(N1CCOC)C)C)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCC(=O)NC1=C(C(=C(N1CCOC)C)C)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H30N2O4S/c1-6-7-8-19(24)22-21-20(16(3)17(4)23(21)13-14-27-5)28(25,26)18-11-9-15(2)10-12-18/h9-12H,6-8,13-14H2,1-5H3,(H,22,24)