1-[[4-[(3-nitro-1-benzothiophen-2-yl)sulfonyl]-1-pyridin-4-yl-piperidin-4-yl]methyl]piperazine

Systemtic Name: 1-[[4-[(3-nitro-1-benzothiophen-2-yl)sulfonyl]-1-pyridin-4-yl-piperidin-4-yl]methyl]piperazine Openeye Name: 1-[[4-(3-nitrobenzothiophen-2-yl)sulfonyl-1-(4-pyridyl)-4-piperidyl]methyl]piperazine CAS Name: 1-[[4-[(3-nitro-1-benzothiophen-2-yl)sulfonyl]-1-pyridin-4-yl-4-piperidinyl]methyl]piperazine IUPAC Name: 1-[[4-[(3-nitro-1-benzothiophen-2-yl)sulfonyl]-1-pyridin-4-ylpiperidin-4-yl]methyl]piperazine Traditional Name: 1-[[4-(3-nitrobenzothiophen-2-yl)sulfonyl-1-(4-pyridyl)-4-piperidyl]methyl]piperazine Formula: C23H27N5O4S2 MolecularWeight: 501.62158

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CN2CCNCC2)S(=O)(=O)C3=C(C4=CC=CC=C4S3)[N+](=O)[O-])C5=CC=NC=C5

Isomeric SMILES

C1CN(CCC1(CN2CCNCC2)S(=O)(=O)C3=C(C4=CC=CC=C4S3)[N+](=O)[O-])C5=CC=NC=C5

InChI

InChI=1S/C23H27N5O4S2/c29-28(30)21-19-3-1-2-4-20(19)33-22(21)34(31,32)23(17-26-15-11-25-12-16-26)7-13-27(14-8-23)18-5-9-24-10-6-18/h1-6,9-10,25H,7-8,11-17H2