[4-[3-ethoxy-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-oxidanylidene-propyl]phenyl] 4-methylsulfonylpiperazine-1-carboxylate

Systemtic Name: [4-[3-ethoxy-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-oxidanylidene-propyl]phenyl] 4-methylsulfonylpiperazine-1-carboxylate Openeye Name: [4-[3-ethoxy-3-oxo-2-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]propyl]phenyl] 4-methylsulfonylpiperazine-1-carboxylate CAS Name: 4-methylsulfonyl-1-piperazinecarboxylic acid [4-[3-ethoxy-2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-oxopropyl]phenyl] ester IUPAC Name: [4-[3-ethoxy-2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-oxopropyl]phenyl] 4-methylsulfonylpiperazine-1-carboxylate Traditional Name: 4-mesylpiperazine-1-carboxylic acid [4-[3-ethoxy-3-keto-2-[(1-tosylprolyl)amino]propyl]phenyl] ester Formula: C29H38N4O9S2 MolecularWeight: 650.76342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)OC(=O)N2CCN(CC2)S(=O)(=O)C)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)OC(=O)N2CCN(CC2)S(=O)(=O)C)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C29H38N4O9S2/c1-4-41-28(35)25(30-27(34)26-6-5-15-33(26)44(39,40)24-13-7-21(2)8-14-24)20-22-9-11-23(12-10-22)42-29(36)31-16-18-32(19-17-31)43(3,37)38/h7-14,25-26H,4-6,15-20H2,1-3H3,(H,30,34)