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

Systemtic Name: 2-[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]-2-(1-pyridin-4-ylpiperidin-4-yl)ethanenitrile Openeye Name: 2-[4-[(6-chloro-2-naphthyl)sulfonyl]-2-oxo-piperazin-1-yl]-2-[1-(4-pyridyl)-4-piperidyl]acetonitrile CAS Name: 2-[4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-oxo-1-piperazinyl]-2-(1-pyridin-4-yl-4-piperidinyl)acetonitrile IUPAC Name: 2-[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]-2-(1-pyridin-4-ylpiperidin-4-yl)acetonitrile Traditional Name: 2-[4-[(6-chloro-2-naphthyl)sulfonyl]-2-keto-piperazino]-2-[1-(4-pyridyl)-4-piperidyl]acetonitrile Formula: C26H26ClN5O3S MolecularWeight: 524.03434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(C#N)N2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C5=CC=NC=C5

Isomeric SMILES

C1CN(CCC1C(C#N)N2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C5=CC=NC=C5

InChI

InChI=1S/C26H26ClN5O3S/c27-22-3-1-21-16-24(4-2-20(21)15-22)36(34,35)31-13-14-32(26(33)18-31)25(17-28)19-7-11-30(12-8-19)23-5-9-29-10-6-23/h1-6,9-10,15-16,19,25H,7-8,11-14,18H2