2-(azepan-1-yl)-6-(2-methylpiperidin-1-yl)sulfonyl-quinoline

Systemtic Name: 2-(azepan-1-yl)-6-(2-methylpiperidin-1-yl)sulfonyl-quinoline Openeye Name: 2-(azepan-1-yl)-6-[(2-methyl-1-piperidyl)sulfonyl]quinoline CAS Name: 2-(1-azepanyl)-6-[(2-methyl-1-piperidinyl)sulfonyl]quinoline IUPAC Name: 2-(azepan-1-yl)-6-(2-methylpiperidin-1-yl)sulfonylquinoline Traditional Name: 2-(azepan-1-yl)-6-(2-methylpiperidino)sulfonyl-quinoline Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3)N4CCCCCC4

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C21H29N3O2S/c1-17-8-4-7-15-24(17)27(25,26)19-10-11-20-18(16-19)9-12-21(22-20)23-13-5-2-3-6-14-23/h9-12,16-17H,2-8,13-15H2,1H3