ethyl 2-[(4-methylphenyl)sulfonyl-pyrrolidin-2-ylcarbonyl-amino]-3-[4-[(4-phenylpiperidin-4-yl)carbonylamino]phenyl]propanoate

Systemtic Name: ethyl 2-[(4-methylphenyl)sulfonyl-pyrrolidin-2-ylcarbonyl-amino]-3-[4-[(4-phenylpiperidin-4-yl)carbonylamino]phenyl]propanoate Openeye Name: ethyl 3-[4-[(4-phenylpiperidine-4-carbonyl)amino]phenyl]-2-[p-tolylsulfonyl(pyrrolidine-2-carbonyl)amino]propanoate CAS Name: 2-[(4-methylphenyl)sulfonyl-[oxo(2-pyrrolidinyl)methyl]amino]-3-[4-[[oxo-(4-phenyl-4-piperidinyl)methyl]amino]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-methylphenyl)sulfonyl-(pyrrolidine-2-carbonyl)amino]-3-[4-[(4-phenylpiperidine-4-carbonyl)amino]phenyl]propanoate Traditional Name: 3-[4-[(4-phenylisonipecotoyl)amino]phenyl]-2-[prolyl(tosyl)amino]propionic acid ethyl ester Formula: C35H42N4O6S MolecularWeight: 646.79618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)NC(=O)C2(CCNCC2)C3=CC=CC=C3)N(C(=O)C4CCCN4)S(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)NC(=O)C2(CCNCC2)C3=CC=CC=C3)N(C(=O)C4CCCN4)S(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C35H42N4O6S/c1-3-45-33(41)31(39(32(40)30-10-7-21-37-30)46(43,44)29-17-11-25(2)12-18-29)24-26-13-15-28(16-14-26)38-34(42)35(19-22-36-23-20-35)27-8-5-4-6-9-27/h4-6,8-9,11-18,30-31,36-37H,3,7,10,19-24H2,1-2H3,(H,38,42)