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

Systemtic Name: N-[4,5-dimethyl-3-(phenylsulfonyl)-1-propan-2-yl-pyrrol-2-yl]pentanamide Openeye Name: N-[3-(benzenesulfonyl)-1-isopropyl-4,5-dimethyl-pyrrol-2-yl]pentanamide CAS Name: N-[3-(benzenesulfonyl)-4,5-dimethyl-1-propan-2-yl-2-pyrrolyl]pentanamide IUPAC Name: N-[3-(benzenesulfonyl)-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]pentanamide Traditional Name: N-(3-besyl-1-isopropyl-4,5-dimethyl-pyrrol-2-yl)valeramide Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C(=C(N1C(C)C)C)C)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC(=O)NC1=C(C(=C(N1C(C)C)C)C)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H28N2O3S/c1-6-7-13-18(23)21-20-19(15(4)16(5)22(20)14(2)3)26(24,25)17-11-9-8-10-12-17/h8-12,14H,6-7,13H2,1-5H3,(H,21,23)