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

Systemtic Name: 4-(azepan-1-yl)-3-(phenylsulfonyl)quinoline Openeye Name: 4-(azepan-1-yl)-3-(benzenesulfonyl)quinoline CAS Name: 4-(1-azepanyl)-3-(benzenesulfonyl)quinoline IUPAC Name: 4-(azepan-1-yl)-3-(benzenesulfonyl)quinoline Traditional Name: 4-(azepan-1-yl)-3-besyl-quinoline Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=NC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=C(C=NC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H22N2O2S/c24-26(25,17-10-4-3-5-11-17)20-16-22-19-13-7-6-12-18(19)21(20)23-14-8-1-2-9-15-23/h3-7,10-13,16H,1-2,8-9,14-15H2