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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2CCN(CC2)S(=O)(=O)C3=C(C4=CC=CC=C4S3)[N+](=O)[O-])C5=CC=NC=C5

Isomeric SMILES

C1CN(CCC1CN2CCN(CC2)S(=O)(=O)C3=C(C4=CC=CC=C4S3)[N+](=O)[O-])C5=CC=NC=C5

InChI

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