2-[4-[2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[(2-chloro-5-nitrophenyl)methyl-methylamino]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[(2-chloro-5-nitro-benzyl)-methyl-amino]acetyl]piperazino]sulfonylbenzonitrile Formula: C21H22ClN5O5S MolecularWeight: 491.94788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN5O5S/c1-24(14-17-12-18(27(29)30)6-7-19(17)22)15-21(28)25-8-10-26(11-9-25)33(31,32)20-5-3-2-4-16(20)13-23/h2-7,12H,8-11,14-15H2,1H3