1-[5-(4-ethoxyphenyl)thiophen-2-yl]sulfonyl-4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-2-carboxylic acid

Systemtic Name: 1-[5-(4-ethoxyphenyl)thiophen-2-yl]sulfonyl-4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-2-carboxylic acid Openeye Name: 1-[[5-(4-ethoxyphenyl)-2-thienyl]sulfonyl]-4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-2-carboxylic acid CAS Name: 1-[[5-(4-ethoxyphenyl)-2-thiophenyl]sulfonyl]-4-[9H-fluoren-9-ylmethoxy(oxo)methyl]-2-piperazinecarboxylic acid IUPAC Name: 1-[5-(4-ethoxyphenyl)thiophen-2-yl]sulfonyl-4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-2-carboxylic acid Traditional Name: 4-(9H-fluoren-9-ylmethoxycarbonyl)-1-[(5-p-phenetyl-2-thienyl)sulfonyl]piperazine-2-carboxylic acid Formula: C32H30N2O7S2 MolecularWeight: 618.7198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CC=C(S2)S(=O)(=O)N3CCN(CC3C(=O)O)C(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC=C(S2)S(=O)(=O)N3CCN(CC3C(=O)O)C(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

InChI

InChI=1S/C32H30N2O7S2/c1-2-40-22-13-11-21(12-14-22)29-15-16-30(42-29)43(38,39)34-18-17-33(19-28(34)31(35)36)32(37)41-20-27-25-9-5-3-7-23(25)24-8-4-6-10-26(24)27/h3-16,27-28H,2,17-20H2,1H3,(H,35,36)