3-methyl-5-[4-[(2S)-2-phenylbutanoyl]piperazin-1-yl]sulfonyl-thiophene-2,4-dicarboxylate

Systemtic Name: 3-methyl-5-[4-[(2S)-2-phenylbutanoyl]piperazin-1-yl]sulfonyl-thiophene-2,4-dicarboxylate Openeye Name: 3-methyl-5-[4-[(2S)-2-phenylbutanoyl]piperazin-1-yl]sulfonyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[4-[(2S)-1-oxo-2-phenylbutyl]-1-piperazinyl]sulfonyl]thiophene-2,4-dicarboxylate IUPAC Name: 3-methyl-5-[4-[(2S)-2-phenylbutanoyl]piperazin-1-yl]sulfonylthiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[4-[(2S)-2-phenylbutanoyl]piperazino]sulfonyl-thiophene-2,4-dicarboxylate Formula: C21H22N2O7S2-2 MolecularWeight: 478.53858

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C(=C(S3)C(=O)[O-])C)C(=O)[O-]

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C(=C(S3)C(=O)[O-])C)C(=O)[O-]

InChI

InChI=1S/C21H24N2O7S2/c1-3-15(14-7-5-4-6-8-14)18(24)22-9-11-23(12-10-22)32(29,30)21-16(19(25)26)13(2)17(31-21)20(27)28/h4-8,15H,3,9-12H2,1-2H3,(H,25,26)(H,27,28)/p-2/t15-/m0/s1