[4-(ethylamino)-3-nitro-phenyl]-[4-(phenylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: [4-(ethylamino)-3-nitro-phenyl]-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-[4-(ethylamino)-3-nitro-phenyl]methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-[4-(ethylamino)-3-nitrophenyl]methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-[4-(ethylamino)-3-nitrophenyl]methanone Traditional Name: (4-besylpiperazino)-[4-(ethylamino)-3-nitro-phenyl]methanone Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O5S/c1-2-20-17-9-8-15(14-18(17)23(25)26)19(24)21-10-12-22(13-11-21)29(27,28)16-6-4-3-5-7-16/h3-9,14,20H,2,10-13H2,1H3