4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]piperazin-2-one

Systemtic Name: 4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]piperazin-2-one Openeye Name: 4-(6-chlorobenzothiophen-2-yl)sulfonyl-1-[[1-(4-pyridyl)-4-piperidyl]amino]piperazin-2-one CAS Name: 4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-1-[(1-pyridin-4-yl-4-piperidinyl)amino]-2-piperazinone IUPAC Name: 4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]piperazin-2-one Traditional Name: 4-(6-chlorobenzothiophen-2-yl)sulfonyl-1-[[1-(4-pyridyl)-4-piperidyl]amino]piperazin-2-one Formula: C22H24ClN5O3S2 MolecularWeight: 506.04066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(S3)C=C(C=C4)Cl)C5=CC=NC=C5

Isomeric SMILES

C1CN(CCC1NN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(S3)C=C(C=C4)Cl)C5=CC=NC=C5

InChI

InChI=1S/C22H24ClN5O3S2/c23-17-2-1-16-13-22(32-20(16)14-17)33(30,31)27-11-12-28(21(29)15-27)25-18-5-9-26(10-6-18)19-3-7-24-8-4-19/h1-4,7-8,13-14,18,25H,5-6,9-12,15H2