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

Systemtic Name: N-[4,5-dimethyl-3-(phenylsulfonyl)-1-propyl-pyrrol-2-yl]-3-methyl-butanamide Openeye Name: N-[3-(benzenesulfonyl)-4,5-dimethyl-1-propyl-pyrrol-2-yl]-3-methyl-butanamide CAS Name: N-[3-(benzenesulfonyl)-4,5-dimethyl-1-propyl-2-pyrrolyl]-3-methylbutanamide IUPAC Name: N-[3-(benzenesulfonyl)-4,5-dimethyl-1-propylpyrrol-2-yl]-3-methylbutanamide Traditional Name: N-(3-besyl-4,5-dimethyl-1-propyl-pyrrol-2-yl)-3-methyl-butyramide Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O3S/c1-6-12-22-16(5)15(4)19(20(22)21-18(23)13-14(2)3)26(24,25)17-10-8-7-9-11-17/h7-11,14H,6,12-13H2,1-5H3,(H,21,23)