7-chloranyl-4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]quinoline

Systemtic Name: 7-chloranyl-4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]quinoline Openeye Name: 7-chloro-4-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]quinoline CAS Name: 7-chloro-4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]quinoline IUPAC Name: 7-chloro-4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]quinoline Traditional Name: 7-chloro-4-(4-tosyl-1,4-diazepan-1-yl)quinoline Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl

InChI

InChI=1S/C21H22ClN3O2S/c1-16-3-6-18(7-4-16)28(26,27)25-12-2-11-24(13-14-25)21-9-10-23-20-15-17(22)5-8-19(20)21/h3-10,15H,2,11-14H2,1H3