N,N,4-trimethyl-3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N,N,4-trimethyl-3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonyl-benzenesulfonamide Openeye Name: N,N,4-trimethyl-3-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzenesulfonamide CAS Name: N,N,4-trimethyl-3-[[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-oxomethyl]benzenesulfonamide IUPAC Name: N,N,4-trimethyl-3-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzenesulfonamide Traditional Name: N,N,4-trimethyl-3-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzenesulfonamide Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3S/c1-16-11-12-17(28(26,27)22(2)3)15-18(16)21(25)24-14-7-5-6-9-20(24)19-10-8-13-23(19)4/h8,10-13,15,20H,5-7,9,14H2,1-4H3