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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(NS(=O)(=O)C1=C2C=CC=NC2=C(C=C1)Cl)N3CCCN(CC3)CCCOC4=CC=CC=C4

Isomeric SMILES

CC(NS(=O)(=O)C1=C2C=CC=NC2=C(C=C1)Cl)N3CCCN(CC3)CCCOC4=CC=CC=C4

InChI

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