methyl 3-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenoxy]naphthalene-2-carboxylate

Systemtic Name: methyl 3-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenoxy]naphthalene-2-carboxylate Openeye Name: methyl 3-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenoxy]naphthalene-2-carboxylate CAS Name: 3-[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenoxy]-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenoxy]naphthalene-2-carboxylate Traditional Name: 3-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenoxy]naphthalene-2-carboxylic acid methyl ester Formula: C23H23N3O7S MolecularWeight: 485.50962

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC4=CC=CC=C4C=C3C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC4=CC=CC=C4C=C3C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H23N3O7S/c1-24-9-11-25(12-10-24)34(30,31)18-7-8-21(20(15-18)26(28)29)33-22-14-17-6-4-3-5-16(17)13-19(22)23(27)32-2/h3-8,13-15H,9-12H2,1-2H3