4-(azepan-1-yl)-6-chloranyl-3-(phenylsulfonyl)quinoline

Systemtic Name: 4-(azepan-1-yl)-6-chloranyl-3-(phenylsulfonyl)quinoline Openeye Name: 4-(azepan-1-yl)-3-(benzenesulfonyl)-6-chloro-quinoline CAS Name: 4-(1-azepanyl)-3-(benzenesulfonyl)-6-chloroquinoline IUPAC Name: 4-(azepan-1-yl)-3-(benzenesulfonyl)-6-chloroquinoline Traditional Name: 4-(azepan-1-yl)-3-besyl-6-chloro-quinoline Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C3C=C(C=CC3=NC=C2S(=O)(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C2=C3C=C(C=CC3=NC=C2S(=O)(=O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C21H21ClN2O2S/c22-16-10-11-19-18(14-16)21(24-12-6-1-2-7-13-24)20(15-23-19)27(25,26)17-8-4-3-5-9-17/h3-5,8-11,14-15H,1-2,6-7,12-13H2