N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-methyl-quinoline-8-sulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-methyl-quinoline-8-sulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-methyl-quinoline-8-sulfonamide CAS Name: N-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-2-methyl-8-quinolinesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-methylquinoline-8-sulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-methyl-quinoline-8-sulfonamide Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2S(=O)(=O)NCC(C3=CC=CN3C)N4CCCCCC4)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2S(=O)(=O)NCC(C3=CC=CN3C)N4CCCCCC4)C=C1

InChI

InChI=1S/C23H30N4O2S/c1-18-12-13-19-9-7-11-22(23(19)25-18)30(28,29)24-17-21(20-10-8-14-26(20)2)27-15-5-3-4-6-16-27/h7-14,21,24H,3-6,15-17H2,1-2H3