N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline Traditional Name: homopiperonyl-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]amine Formula: C20H24N4O6S MolecularWeight: 448.49276

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O6S/c1-22-8-10-23(11-9-22)31(27,28)16-3-4-17(18(13-16)24(25)26)21-7-6-15-2-5-19-20(12-15)30-14-29-19/h2-5,12-13,21H,6-11,14H2,1H3