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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline Traditional Name: [4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]-piperonyl-amine Formula: C19H22N4O6S MolecularWeight: 434.46618

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O6S/c1-21-6-8-22(9-7-21)30(26,27)15-3-4-16(17(11-15)23(24)25)20-12-14-2-5-18-19(10-14)29-13-28-18/h2-5,10-11,20H,6-9,12-13H2,1H3