2-azanyl-5-(4-hydroxyphenyl)sulfonyl-3-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzoic acid

Systemtic Name: 2-azanyl-5-(4-hydroxyphenyl)sulfonyl-3-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzoic acid Openeye Name: 2-amino-5-(4-hydroxyphenyl)sulfonyl-3-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzoic acid CAS Name: 2-amino-5-(4-hydroxyphenyl)sulfonyl-3-methyl-4-[(4-methyl-1-piperazinyl)methyl]benzoic acid IUPAC Name: 2-amino-5-(4-hydroxyphenyl)sulfonyl-3-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzoic acid Traditional Name: 2-amino-5-(4-hydroxyphenyl)sulfonyl-3-methyl-4-[(4-methylpiperazino)methyl]benzoic acid Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1CN2CCN(CC2)C)S(=O)(=O)C3=CC=C(C=C3)O)C(=O)O)N

Isomeric SMILES

CC1=C(C(=CC(=C1CN2CCN(CC2)C)S(=O)(=O)C3=CC=C(C=C3)O)C(=O)O)N

InChI

InChI=1S/C20H25N3O5S/c1-13-17(12-23-9-7-22(2)8-10-23)18(11-16(19(13)21)20(25)26)29(27,28)15-5-3-14(24)4-6-15/h3-6,11,24H,7-10,12,21H2,1-2H3,(H,25,26)