ethyl 2-(4-methylphenyl)sulfonyl-2-[[4-(piperidin-4-ylcarbonylamino)phenyl]-pyrrolidin-2-ylcarbonyl-amino]propanoate

Systemtic Name: ethyl 2-(4-methylphenyl)sulfonyl-2-[[4-(piperidin-4-ylcarbonylamino)phenyl]-pyrrolidin-2-ylcarbonyl-amino]propanoate Openeye Name: ethyl 2-[4-(piperidine-4-carbonylamino)-N-(pyrrolidine-2-carbonyl)anilino]-2-(p-tolylsulfonyl)propanoate CAS Name: 2-(4-methylphenyl)sulfonyl-2-[4-[[oxo(4-piperidinyl)methyl]amino]-N-[oxo(2-pyrrolidinyl)methyl]anilino]propanoic acid ethyl ester IUPAC Name: ethyl 2-(4-methylphenyl)sulfonyl-2-[4-(piperidine-4-carbonylamino)-N-(pyrrolidine-2-carbonyl)anilino]propanoate Traditional Name: 2-[4-(isonipecotoylamino)-N-prolyl-anilino]-2-tosyl-propionic acid ethyl ester Formula: C29H38N4O6S MolecularWeight: 570.70022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(N(C1=CC=C(C=C1)NC(=O)C2CCNCC2)C(=O)C3CCCN3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C(C)(N(C1=CC=C(C=C1)NC(=O)C2CCNCC2)C(=O)C3CCCN3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C29H38N4O6S/c1-4-39-28(36)29(3,40(37,38)24-13-7-20(2)8-14-24)33(27(35)25-6-5-17-31-25)23-11-9-22(10-12-23)32-26(34)21-15-18-30-19-16-21/h7-14,21,25,30-31H,4-6,15-19H2,1-3H3,(H,32,34)