methyl (3S)-1-[4-[(5-ethyl-4-methyl-thiophen-2-yl)carbonylamino]phenyl]sulfonylpiperidine-3-carboxylate

Systemtic Name: methyl (3S)-1-[4-[(5-ethyl-4-methyl-thiophen-2-yl)carbonylamino]phenyl]sulfonylpiperidine-3-carboxylate Openeye Name: methyl (3S)-1-[4-[(5-ethyl-4-methyl-thiophene-2-carbonyl)amino]phenyl]sulfonylpiperidine-3-carboxylate CAS Name: (3S)-1-[4-[[(5-ethyl-4-methyl-2-thiophenyl)-oxomethyl]amino]phenyl]sulfonyl-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (3S)-1-[4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]phenyl]sulfonylpiperidine-3-carboxylate Traditional Name: (3S)-1-[4-[(5-ethyl-4-methyl-thiophene-2-carbonyl)amino]phenyl]sulfonylnipecotic acid methyl ester Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)OC)C

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCC[C@@H](C3)C(=O)OC)C

InChI

InChI=1S/C21H26N2O5S2/c1-4-18-14(2)12-19(29-18)20(24)22-16-7-9-17(10-8-16)30(26,27)23-11-5-6-15(13-23)21(25)28-3/h7-10,12,15H,4-6,11,13H2,1-3H3,(H,22,24)/t15-/m0/s1