[4-[2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-oxidanylidene-3-propan-2-yloxy-propyl]phenyl] 4-methylpiperazine-1-carboxylate

Systemtic Name: [4-[2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-oxidanylidene-3-propan-2-yloxy-propyl]phenyl] 4-methylpiperazine-1-carboxylate Openeye Name: [4-[3-isopropoxy-3-oxo-2-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]propyl]phenyl] 4-methylpiperazine-1-carboxylate CAS Name: 4-methyl-1-piperazinecarboxylic acid [4-[2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-oxo-3-propan-2-yloxypropyl]phenyl] ester IUPAC Name: [4-[2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-oxo-3-propan-2-yloxypropyl]phenyl] 4-methylpiperazine-1-carboxylate Traditional Name: 4-methylpiperazine-1-carboxylic acid [4-[3-isopropoxy-3-keto-2-[(1-tosylprolyl)amino]propyl]phenyl] ester Formula: C30H40N4O7S MolecularWeight: 600.7262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC3=CC=C(C=C3)OC(=O)N4CCN(CC4)C)C(=O)OC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC3=CC=C(C=C3)OC(=O)N4CCN(CC4)C)C(=O)OC(C)C

InChI

InChI=1S/C30H40N4O7S/c1-21(2)40-29(36)26(20-23-9-11-24(12-10-23)41-30(37)33-18-16-32(4)17-19-33)31-28(35)27-6-5-15-34(27)42(38,39)25-13-7-22(3)8-14-25/h7-14,21,26-27H,5-6,15-20H2,1-4H3,(H,31,35)