N-ethyl-2-nitro-5-[4-(phenylmethyl)sulfonylpiperazin-1-yl]aniline

Systemtic Name: N-ethyl-2-nitro-5-[4-(phenylmethyl)sulfonylpiperazin-1-yl]aniline Openeye Name: 5-(4-benzylsulfonylpiperazin-1-yl)-N-ethyl-2-nitro-aniline CAS Name: N-ethyl-2-nitro-5-[4-(phenylmethyl)sulfonyl-1-piperazinyl]aniline IUPAC Name: 5-(4-benzylsulfonylpiperazin-1-yl)-N-ethyl-2-nitroaniline Traditional Name: [5-(4-benzylsulfonylpiperazino)-2-nitro-phenyl]-ethyl-amine Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O4S/c1-2-20-18-14-17(8-9-19(18)23(24)25)21-10-12-22(13-11-21)28(26,27)15-16-6-4-3-5-7-16/h3-9,14,20H,2,10-13,15H2,1H3