2-[(3-nitrophenyl)amino]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(3-nitrophenyl)amino]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(3-nitroanilino)ethanone CAS Name: 2-(3-nitroanilino)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(3-nitroanilino)ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-(3-nitroanilino)ethanone Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CNC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)CNC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H22N4O5S/c24-19(14-20-17-7-4-8-18(13-17)23(25)26)21-9-11-22(12-10-21)29(27,28)15-16-5-2-1-3-6-16/h1-8,13,20H,9-12,14-15H2