2-[4-[2-[methyl-[(2-nitrophenyl)methyl]amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-[methyl-[(2-nitrophenyl)methyl]amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[methyl-[(2-nitrophenyl)methyl]amino]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[methyl-[(2-nitrophenyl)methyl]amino]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[methyl-[(2-nitrophenyl)methyl]amino]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[methyl-(2-nitrobenzyl)amino]acetyl]piperazino]sulfonylbenzonitrile Formula: C21H23N5O5S MolecularWeight: 457.50282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1[N+](=O)[O-])CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CN(CC1=CC=CC=C1[N+](=O)[O-])CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C21H23N5O5S/c1-23(15-18-7-2-4-8-19(18)26(28)29)16-21(27)24-10-12-25(13-11-24)32(30,31)20-9-5-3-6-17(20)14-22/h2-9H,10-13,15-16H2,1H3