1-(diphenylmethyl)oxy-3-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propan-2-ol; ethanedioic acid

Systemtic Name: 1-(diphenylmethyl)oxy-3-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propan-2-ol; ethanedioic acid Openeye Name: 1-benzhydryloxy-3-[4-[(E)-styryl]sulfonylpiperazin-1-yl]propan-2-ol; oxalic acid CAS Name: 1-(diphenylmethyl)oxy-3-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]-2-propanol; oxalic acid IUPAC Name: 1-benzhydryloxy-3-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propan-2-ol; oxalic acid Traditional Name: 1-benzhydryloxy-3-[4-[(E)-styryl]sulfonylpiperazino]propan-2-ol; oxalic acid Formula: C30H34N2O8S MolecularWeight: 582.66456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC(C2=CC=CC=C2)C3=CC=CC=C3)O)S(=O)(=O)C=CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC(COC(C2=CC=CC=C2)C3=CC=CC=C3)O)S(=O)(=O)/C=C/C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C28H32N2O4S.C2H2O4/c31-27(23-34-28(25-12-6-2-7-13-25)26-14-8-3-9-15-26)22-29-17-19-30(20-18-29)35(32,33)21-16-24-10-4-1-5-11-24;3-1(4)2(5)6/h1-16,21,27-28,31H,17-20,22-23H2;(H,3,4)(H,5,6)/b21-16+;