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

Systemtic Name: 5-bromanyl-2-[(4-hydroxyphenyl)sulfonyl-[(4-methylpiperazin-1-yl)methyl]amino]-3-methyl-benzoic acid Openeye Name: 5-bromo-2-[(4-hydroxyphenyl)sulfonyl-[(4-methylpiperazin-1-yl)methyl]amino]-3-methyl-benzoic acid CAS Name: 5-bromo-2-[(4-hydroxyphenyl)sulfonyl-[(4-methyl-1-piperazinyl)methyl]amino]-3-methylbenzoic acid IUPAC Name: 5-bromo-2-[(4-hydroxyphenyl)sulfonyl-[(4-methylpiperazin-1-yl)methyl]amino]-3-methylbenzoic acid Traditional Name: 5-bromo-2-[(4-hydroxyphenyl)sulfonyl-[(4-methylpiperazino)methyl]amino]-3-methyl-benzoic acid Formula: C20H24BrN3O5S MolecularWeight: 498.39066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)O)N(CN2CCN(CC2)C)S(=O)(=O)C3=CC=C(C=C3)O

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)O)N(CN2CCN(CC2)C)S(=O)(=O)C3=CC=C(C=C3)O

InChI

InChI=1S/C20H24BrN3O5S/c1-14-11-15(21)12-18(20(26)27)19(14)24(13-23-9-7-22(2)8-10-23)30(28,29)17-5-3-16(25)4-6-17/h3-6,11-12,25H,7-10,13H2,1-2H3,(H,26,27)