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

Systemtic Name: 8-chloranyl-N-[1-[3-methyl-4-(3-phenoxypropyl)piperazin-1-yl]ethyl]quinoline-5-sulfonamide Openeye Name: 8-chloro-N-[1-[3-methyl-4-(3-phenoxypropyl)piperazin-1-yl]ethyl]quinoline-5-sulfonamide CAS Name: 8-chloro-N-[1-[3-methyl-4-(3-phenoxypropyl)-1-piperazinyl]ethyl]-5-quinolinesulfonamide IUPAC Name: 8-chloro-N-[1-[3-methyl-4-(3-phenoxypropyl)piperazin-1-yl]ethyl]quinoline-5-sulfonamide Traditional Name: 8-chloro-N-[1-[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)C(C)NS(=O)(=O)C3=C4C=CC=NC4=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H31ClN4O3S/c1-19-18-30(16-15-29(19)14-7-17-33-21-8-4-3-5-9-21)20(2)28-34(31,32)24-12-11-23(26)25-22(24)10-6-13-27-25/h3-6,8-13,19-20,28H,7,14-18H2,1-2H3