4-(4-methoxyphenyl)sulfonyl-2-(methylamino)-3-[(4-methylpiperazin-1-yl)methyl]benzoic acid

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-2-(methylamino)-3-[(4-methylpiperazin-1-yl)methyl]benzoic acid Openeye Name: 4-(4-methoxyphenyl)sulfonyl-2-(methylamino)-3-[(4-methylpiperazin-1-yl)methyl]benzoic acid CAS Name: 4-(4-methoxyphenyl)sulfonyl-2-(methylamino)-3-[(4-methyl-1-piperazinyl)methyl]benzoic acid IUPAC Name: 4-(4-methoxyphenyl)sulfonyl-2-(methylamino)-3-[(4-methylpiperazin-1-yl)methyl]benzoic acid Traditional Name: 4-(4-methoxyphenyl)sulfonyl-2-(methylamino)-3-[(4-methylpiperazino)methyl]benzoic acid Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=CC(=C1CN2CCN(CC2)C)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)O

Isomeric SMILES

CNC1=C(C=CC(=C1CN2CCN(CC2)C)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C21H27N3O5S/c1-22-20-17(21(25)26)8-9-19(18(20)14-24-12-10-23(2)11-13-24)30(27,28)16-6-4-15(29-3)5-7-16/h4-9,22H,10-14H2,1-3H3,(H,25,26)