[1-(4-phenylphenyl)sulfonyl-4-sulfanyl-pyrrolidin-2-yl] N-[methyl-(4-methylphenyl)sulfonyl-amino]carbamate

Systemtic Name: [1-(4-phenylphenyl)sulfonyl-4-sulfanyl-pyrrolidin-2-yl] N-[methyl-(4-methylphenyl)sulfonyl-amino]carbamate Openeye Name: [1-(4-phenylphenyl)sulfonyl-4-sulfanyl-pyrrolidin-2-yl] N-[methyl(p-tolylsulfonyl)amino]carbamate CAS Name: N-[methyl-(4-methylphenyl)sulfonylamino]carbamic acid [4-mercapto-1-(4-phenylphenyl)sulfonyl-2-pyrrolidinyl] ester IUPAC Name: [1-(4-phenylphenyl)sulfonyl-4-sulfanylpyrrolidin-2-yl] N-[methyl-(4-methylphenyl)sulfonylamino]carbamate Traditional Name: N-[methyl(tosyl)amino]carbamic acid [4-mercapto-1-(4-phenylphenyl)sulfonyl-pyrrolidin-2-yl] ester Formula: C25H27N3O6S3 MolecularWeight: 561.69338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)NC(=O)OC2CC(CN2S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)S

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)NC(=O)OC2CC(CN2S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)S

InChI

InChI=1S/C25H27N3O6S3/c1-18-8-12-22(13-9-18)36(30,31)27(2)26-25(29)34-24-16-21(35)17-28(24)37(32,33)23-14-10-20(11-15-23)19-6-4-3-5-7-19/h3-15,21,24,35H,16-17H2,1-2H3,(H,26,29)