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

Systemtic Name: N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-propyl-pyrrol-2-yl]-3-methyl-butanamide Openeye Name: N-[4,5-dimethyl-1-propyl-3-(p-tolylsulfonyl)pyrrol-2-yl]-3-methyl-butanamide CAS Name: N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-propyl-2-pyrrolyl]-3-methylbutanamide IUPAC Name: N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-propylpyrrol-2-yl]-3-methylbutanamide Traditional Name: N-(4,5-dimethyl-1-propyl-3-tosyl-pyrrol-2-yl)-3-methyl-butyramide Formula: C21H30N2O3S MolecularWeight: 390.5395

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=C1NC(=O)CC(C)C)S(=O)(=O)C2=CC=C(C=C2)C)C)C

Isomeric SMILES

CCCN1C(=C(C(=C1NC(=O)CC(C)C)S(=O)(=O)C2=CC=C(C=C2)C)C)C

InChI

InChI=1S/C21H30N2O3S/c1-7-12-23-17(6)16(5)20(21(23)22-19(24)13-14(2)3)27(25,26)18-10-8-15(4)9-11-18/h8-11,14H,7,12-13H2,1-6H3,(H,22,24)