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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CCCOC2=CC=CC=C2)CCNS(=O)(=O)C3=C4C=CC=NC4=C(C=C3)Cl

Isomeric SMILES

CC1CN(CCN1CCCOC2=CC=CC=C2)CCNS(=O)(=O)C3=C4C=CC=NC4=C(C=C3)Cl

InChI

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