2-[[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)amino]ethanenitrile

Systemtic Name: 2-[[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)amino]ethanenitrile Openeye Name: 2-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-oxo-piperazin-1-yl]-[1-(4-pyridyl)-4-piperidyl]amino]acetonitrile CAS Name: 2-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-oxo-1-piperazinyl]-(1-pyridin-4-yl-4-piperidinyl)amino]acetonitrile IUPAC Name: 2-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)amino]acetonitrile Traditional Name: 2-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-keto-piperazino]-[1-(4-pyridyl)-4-piperidyl]amino]acetonitrile Formula: C26H27ClN6O3S MolecularWeight: 539.04898

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N(CC#N)N2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C5=CC=NC=C5

Isomeric SMILES

C1CN(CCC1N(CC#N)N2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C5=CC=NC=C5

InChI

InChI=1S/C26H27ClN6O3S/c27-22-3-1-21-18-25(4-2-20(21)17-22)37(35,36)31-15-16-33(26(34)19-31)32(14-9-28)24-7-12-30(13-8-24)23-5-10-29-11-6-23/h1-6,10-11,17-18,24H,7-8,12-16,19H2