8-chloranyl-N-[2-[4-(3-phenoxybutyl)piperazin-1-yl]ethyl]quinoline-5-sulfonamide

Systemtic Name: 8-chloranyl-N-[2-[4-(3-phenoxybutyl)piperazin-1-yl]ethyl]quinoline-5-sulfonamide Openeye Name: 8-chloro-N-[2-[4-(3-phenoxybutyl)piperazin-1-yl]ethyl]quinoline-5-sulfonamide CAS Name: 8-chloro-N-[2-[4-(3-phenoxybutyl)-1-piperazinyl]ethyl]-5-quinolinesulfonamide IUPAC Name: 8-chloro-N-[2-[4-(3-phenoxybutyl)piperazin-1-yl]ethyl]quinoline-5-sulfonamide Traditional Name: 8-chloro-N-[2-[4-(3-phenoxybutyl)piperazino]ethyl]quinoline-5-sulfonamide Formula: C25H31ClN4O3S MolecularWeight: 503.05664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1CCN(CC1)CCNS(=O)(=O)C2=C3C=CC=NC3=C(C=C2)Cl)OC4=CC=CC=C4

Isomeric SMILES

CC(CCN1CCN(CC1)CCNS(=O)(=O)C2=C3C=CC=NC3=C(C=C2)Cl)OC4=CC=CC=C4

InChI

InChI=1S/C25H31ClN4O3S/c1-20(33-21-6-3-2-4-7-21)11-14-29-16-18-30(19-17-29)15-13-28-34(31,32)24-10-9-23(26)25-22(24)8-5-12-27-25/h2-10,12,20,28H,11,13-19H2,1H3