4-[(9-chloranyl-2,3-dihydro-1-benzoxepin-4-yl)sulfonyl]-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]piperazin-2-one

Systemtic Name: 4-[(9-chloranyl-2,3-dihydro-1-benzoxepin-4-yl)sulfonyl]-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]piperazin-2-one Openeye Name: 4-[(9-chloro-2,3-dihydro-1-benzoxepin-4-yl)sulfonyl]-1-[[1-(4-pyridyl)-4-piperidyl]amino]piperazin-2-one CAS Name: 4-[(9-chloro-2,3-dihydro-1-benzoxepin-4-yl)sulfonyl]-1-[(1-pyridin-4-yl-4-piperidinyl)amino]-2-piperazinone IUPAC Name: 4-[(9-chloro-2,3-dihydro-1-benzoxepin-4-yl)sulfonyl]-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]piperazin-2-one Traditional Name: 4-[(9-chloro-2,3-dihydro-1-benzoxepin-4-yl)sulfonyl]-1-[[1-(4-pyridyl)-4-piperidyl]amino]piperazin-2-one Formula: C24H28ClN5O4S MolecularWeight: 518.02822

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C(=CC=C4)Cl)OCC3)C5=CC=NC=C5

Isomeric SMILES

C1CN(CCC1NN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C(=CC=C4)Cl)OCC3)C5=CC=NC=C5

InChI

InChI=1S/C24H28ClN5O4S/c25-22-3-1-2-18-16-21(8-15-34-24(18)22)35(32,33)29-13-14-30(23(31)17-29)27-19-6-11-28(12-7-19)20-4-9-26-10-5-20/h1-5,9-10,16,19,27H,6-8,11-15,17H2