8-[4-(azepan-1-ylmethyl)piperidin-1-yl]sulfonylquinoline

Systemtic Name: 8-[4-(azepan-1-ylmethyl)piperidin-1-yl]sulfonylquinoline Openeye Name: 8-[[4-(azepan-1-ylmethyl)-1-piperidyl]sulfonyl]quinoline CAS Name: 8-[[4-(1-azepanylmethyl)-1-piperidinyl]sulfonyl]quinoline IUPAC Name: 8-[4-(azepan-1-ylmethyl)piperidin-1-yl]sulfonylquinoline Traditional Name: 8-[4-(azepan-1-ylmethyl)piperidino]sulfonylquinoline Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1CCCN(CC1)CC2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H29N3O2S/c25-27(26,20-9-5-7-19-8-6-12-22-21(19)20)24-15-10-18(11-16-24)17-23-13-3-1-2-4-14-23/h5-9,12,18H,1-4,10-11,13-17H2