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

Systemtic Name: [4-[3-butoxy-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-oxidanylidene-propyl]phenyl] 4-methylpiperazine-1-carboxylate Openeye Name: [4-[3-butoxy-3-oxo-2-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]propyl]phenyl] 4-methylpiperazine-1-carboxylate CAS Name: 4-methyl-1-piperazinecarboxylic acid [4-[3-butoxy-2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-oxopropyl]phenyl] ester IUPAC Name: [4-[3-butoxy-2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-oxopropyl]phenyl] 4-methylpiperazine-1-carboxylate Traditional Name: 4-methylpiperazine-1-carboxylic acid [4-[3-butoxy-3-keto-2-[(1-tosylprolyl)amino]propyl]phenyl] ester Formula: C31H42N4O7S MolecularWeight: 614.75278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H42N4O7S/c1-4-5-21-41-30(37)27(22-24-10-12-25(13-11-24)42-31(38)34-19-17-33(3)18-20-34)32-29(36)28-7-6-16-35(28)43(39,40)26-14-8-23(2)9-15-26/h8-15,27-28H,4-7,16-22H2,1-3H3,(H,32,36)