N,N,2,3-tetramethyl-5-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N,N,2,3-tetramethyl-5-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonyl-benzenesulfonamide Openeye Name: N,N,2,3-tetramethyl-5-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzenesulfonamide CAS Name: N,N,2,3-tetramethyl-5-[[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-oxomethyl]benzenesulfonamide IUPAC Name: N,N,2,3-tetramethyl-5-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzenesulfonamide Traditional Name: N,N,2,3-tetramethyl-5-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzenesulfonamide Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)N2CCCCCC2C3=CC=CN3C)S(=O)(=O)N(C)C)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)N2CCCCCC2C3=CC=CN3C)S(=O)(=O)N(C)C)C

InChI

InChI=1S/C22H31N3O3S/c1-16-14-18(15-21(17(16)2)29(27,28)23(3)4)22(26)25-13-8-6-7-10-20(25)19-11-9-12-24(19)5/h9,11-12,14-15,20H,6-8,10,13H2,1-5H3