N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]amine Formula: C21H26N4O6S MolecularWeight: 462.51934

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O6S/c1-22-7-9-24(10-8-22)32(28,29)17-4-5-18(19(14-17)25(26)27)23(2)15-16-3-6-20-21(13-16)31-12-11-30-20/h3-6,13-14H,7-12,15H2,1-2H3