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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C(=C(N1CCCOC)C)C)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCC(=O)NC1=C(C(=C(N1CCCOC)C)C)S(=O)(=O)C2=CC=C(C=C2)C

InChI

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