2-[4-(1-ethylsulfonylpiperidin-4-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(1-ethylsulfonylpiperidin-4-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(1-ethylsulfonyl-4-piperidinyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(1-esylisonipecotoyl)piperazino]sulfonylbenzonitrile Formula: C19H26N4O5S2 MolecularWeight: 454.56354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C19H26N4O5S2/c1-2-29(25,26)22-9-7-16(8-10-22)19(24)21-11-13-23(14-12-21)30(27,28)18-6-4-3-5-17(18)15-20/h3-6,16H,2,7-14H2,1H3