1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol; ethanedioic acid

Systemtic Name: 1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol; ethanedioic acid Openeye Name: 1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-(2-thienylmethoxy)propan-2-ol; oxalic acid CAS Name: 1-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-3-(thiophen-2-ylmethoxy)-2-propanol; oxalic acid IUPAC Name: 1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol; oxalic acid Traditional Name: 1-(4-brosylpiperazino)-3-(2-thenyloxy)propan-2-ol; oxalic acid Formula: C20H25BrN2O8S2 MolecularWeight: 565.4551

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COCC2=CC=CS2)O)S(=O)(=O)C3=CC=C(C=C3)Br.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC(COCC2=CC=CS2)O)S(=O)(=O)C3=CC=C(C=C3)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H23BrN2O4S2.C2H2O4/c19-15-3-5-18(6-4-15)27(23,24)21-9-7-20(8-10-21)12-16(22)13-25-14-17-2-1-11-26-17;3-1(4)2(5)6/h1-6,11,16,22H,7-10,12-14H2;(H,3,4)(H,5,6)