1-[(3,4-dimethoxyphenyl)methoxy]-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-ol; ethanedioic acid

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methoxy]-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-ol; ethanedioic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)methoxy]-3-[4-(2-thienylsulfonyl)piperazin-1-yl]propan-2-ol; oxalic acid CAS Name: 1-[(3,4-dimethoxyphenyl)methoxy]-3-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-2-propanol; oxalic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)methoxy]-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-ol; oxalic acid Traditional Name: oxalic acid; 1-[4-(2-thienylsulfonyl)piperazino]-3-veratryloxy-propan-2-ol Formula: C22H30N2O10S2 MolecularWeight: 546.611

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COCC(CN2CCN(CC2)S(=O)(=O)C3=CC=CS3)O)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)COCC(CN2CCN(CC2)S(=O)(=O)C3=CC=CS3)O)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H28N2O6S2.C2H2O4/c1-26-18-6-5-16(12-19(18)27-2)14-28-15-17(23)13-21-7-9-22(10-8-21)30(24,25)20-4-3-11-29-20;3-1(4)2(5)6/h3-6,11-12,17,23H,7-10,13-15H2,1-2H3;(H,3,4)(H,5,6)