2-azanyl-4-(4-hydroxyphenyl)sulfonyl-6-methyl-5-[(4-methylpiperazin-1-yl)methyl]-3-phenyl-benzoic acid

Systemtic Name: 2-azanyl-4-(4-hydroxyphenyl)sulfonyl-6-methyl-5-[(4-methylpiperazin-1-yl)methyl]-3-phenyl-benzoic acid Openeye Name: 2-amino-4-(4-hydroxyphenyl)sulfonyl-6-methyl-5-[(4-methylpiperazin-1-yl)methyl]-3-phenyl-benzoic acid CAS Name: 2-amino-4-(4-hydroxyphenyl)sulfonyl-6-methyl-5-[(4-methyl-1-piperazinyl)methyl]-3-phenylbenzoic acid IUPAC Name: 2-amino-4-(4-hydroxyphenyl)sulfonyl-6-methyl-5-[(4-methylpiperazin-1-yl)methyl]-3-phenylbenzoic acid Traditional Name: 2-amino-4-(4-hydroxyphenyl)sulfonyl-6-methyl-5-[(4-methylpiperazino)methyl]-3-phenyl-benzoic acid Formula: C26H29N3O5S MolecularWeight: 495.59056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1CN2CCN(CC2)C)S(=O)(=O)C3=CC=C(C=C3)O)C4=CC=CC=C4)N)C(=O)O

Isomeric SMILES

CC1=C(C(=C(C(=C1CN2CCN(CC2)C)S(=O)(=O)C3=CC=C(C=C3)O)C4=CC=CC=C4)N)C(=O)O

InChI

InChI=1S/C26H29N3O5S/c1-17-21(16-29-14-12-28(2)13-15-29)25(35(33,34)20-10-8-19(30)9-11-20)23(18-6-4-3-5-7-18)24(27)22(17)26(31)32/h3-11,30H,12-16,27H2,1-2H3,(H,31,32)