8-chloranyl-N-[2-[4-(3-phenylsulfanylpropyl)-1,4-diazepan-1-yl]ethyl]quinoline-5-sulfonamide

Systemtic Name: 8-chloranyl-N-[2-[4-(3-phenylsulfanylpropyl)-1,4-diazepan-1-yl]ethyl]quinoline-5-sulfonamide Openeye Name: 8-chloro-N-[2-[4-(3-phenylsulfanylpropyl)-1,4-diazepan-1-yl]ethyl]quinoline-5-sulfonamide CAS Name: 8-chloro-N-[2-[4-[3-(phenylthio)propyl]-1,4-diazepan-1-yl]ethyl]-5-quinolinesulfonamide IUPAC Name: 8-chloro-N-[2-[4-(3-phenylsulfanylpropyl)-1,4-diazepan-1-yl]ethyl]quinoline-5-sulfonamide Traditional Name: 8-chloro-N-[2-[4-[3-(phenylthio)propyl]-1,4-diazepan-1-yl]ethyl]quinoline-5-sulfonamide Formula: C25H31ClN4O2S2 MolecularWeight: 519.12224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CCNS(=O)(=O)C2=C3C=CC=NC3=C(C=C2)Cl)CCCSC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)CCNS(=O)(=O)C2=C3C=CC=NC3=C(C=C2)Cl)CCCSC4=CC=CC=C4

InChI

InChI=1S/C25H31ClN4O2S2/c26-23-10-11-24(22-9-4-12-27-25(22)23)34(31,32)28-13-17-30-15-5-14-29(18-19-30)16-6-20-33-21-7-2-1-3-8-21/h1-4,7-12,28H,5-6,13-20H2