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

Systemtic Name: 2-azanyl-5-(4-methoxyphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]-4-(thiophen-3-ylmethyl)benzoic acid Openeye Name: 2-amino-5-(4-methoxyphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]-4-(3-thienylmethyl)benzoic acid CAS Name: 2-amino-5-(4-methoxyphenyl)sulfonyl-3-[(4-methyl-1-piperazinyl)methyl]-4-(3-thiophenylmethyl)benzoic acid IUPAC Name: 2-amino-5-(4-methoxyphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]-4-(thiophen-3-ylmethyl)benzoic acid Traditional Name: 2-amino-5-(4-methoxyphenyl)sulfonyl-3-[(4-methylpiperazino)methyl]-4-(3-thenyl)benzoic acid Formula: C25H29N3O5S2 MolecularWeight: 515.64486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=C(C(=CC(=C2CC3=CSC=C3)S(=O)(=O)C4=CC=C(C=C4)OC)C(=O)O)N

Isomeric SMILES

CN1CCN(CC1)CC2=C(C(=CC(=C2CC3=CSC=C3)S(=O)(=O)C4=CC=C(C=C4)OC)C(=O)O)N

InChI

InChI=1S/C25H29N3O5S2/c1-27-8-10-28(11-9-27)15-22-20(13-17-7-12-34-16-17)23(14-21(24(22)26)25(29)30)35(31,32)19-5-3-18(33-2)4-6-19/h3-7,12,14,16H,8-11,13,15,26H2,1-2H3,(H,29,30)