2-[(2-methyl-3-nitro-phenyl)amino]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(2-methyl-3-nitro-phenyl)amino]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-methyl-3-nitro-anilino)ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(2-methyl-3-nitroanilino)ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-methyl-3-nitroanilino)ethanone Traditional Name: 1-(4-besylpiperazino)-2-(2-methyl-3-nitro-anilino)ethanone Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H22N4O5S/c1-15-17(8-5-9-18(15)23(25)26)20-14-19(24)21-10-12-22(13-11-21)29(27,28)16-6-3-2-4-7-16/h2-9,20H,10-14H2,1H3