2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-5-nitro-pyridine-3-carbonitrile

Systemtic Name: 2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-5-nitro-pyridine-3-carbonitrile Openeye Name: 5-nitro-2-[4-(4-sec-butylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]-5-nitro-3-pyridinecarbonitrile IUPAC Name: 2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-5-nitropyridine-3-carbonitrile Traditional Name: 5-nitro-2-[4-(4-sec-butylphenyl)sulfonylpiperazino]nicotinonitrile Formula: C20H23N5O4S MolecularWeight: 429.49272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3C#N)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O4S/c1-3-15(2)16-4-6-19(7-5-16)30(28,29)24-10-8-23(9-11-24)20-17(13-21)12-18(14-22-20)25(26)27/h4-7,12,14-15H,3,8-11H2,1-2H3