N,N-dimethyl-4-[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N,N-dimethyl-4-[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonyl-benzenesulfonamide Openeye Name: N,N-dimethyl-4-[(2R)-2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzenesulfonamide CAS Name: N,N-dimethyl-4-[[(2R)-2-(1-methyl-2-pyrrolyl)-1-azepanyl]-oxomethyl]benzenesulfonamide IUPAC Name: N,N-dimethyl-4-[(2R)-2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzenesulfonamide Traditional Name: N,N-dimethyl-4-[(2R)-2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzenesulfonamide Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C

Isomeric SMILES

CN1C=CC=C1[C@H]2CCCCCN2C(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C

InChI

InChI=1S/C20H27N3O3S/c1-21(2)27(25,26)17-12-10-16(11-13-17)20(24)23-15-6-4-5-8-19(23)18-9-7-14-22(18)3/h7,9-14,19H,4-6,8,15H2,1-3H3/t19-/m1/s1