4-methyl-3-[2-[(4-methylphenyl)sulfonyl-[(3S,4S)-1-(4-methylphenyl)sulfonyl-4-oxidanyl-pyrrolidin-3-yl]amino]ethyl]benzenesulfonic acid

Systemtic Name: 4-methyl-3-[2-[(4-methylphenyl)sulfonyl-[(3S,4S)-1-(4-methylphenyl)sulfonyl-4-oxidanyl-pyrrolidin-3-yl]amino]ethyl]benzenesulfonic acid Openeye Name: 3-[2-[[(3S,4S)-4-hydroxy-1-(p-tolylsulfonyl)pyrrolidin-3-yl]-(p-tolylsulfonyl)amino]ethyl]-4-methyl-benzenesulfonic acid CAS Name: 3-[2-[[(3S,4S)-4-hydroxy-1-(4-methylphenyl)sulfonyl-3-pyrrolidinyl]-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonic acid IUPAC Name: 3-[2-[[(3S,4S)-4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonic acid Traditional Name: 3-[2-[[(3S,4S)-4-hydroxy-1-tosyl-pyrrolidin-3-yl]-tosyl-amino]ethyl]-4-methyl-besylic acid Formula: C27H32N2O8S3 MolecularWeight: 608.74658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(C(C2)O)N(CCC3=C(C=CC(=C3)S(=O)(=O)O)C)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H]([C@H](C2)O)N(CCC3=C(C=CC(=C3)S(=O)(=O)O)C)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H32N2O8S3/c1-19-4-9-23(10-5-19)38(31,32)28-17-26(27(30)18-28)29(39(33,34)24-11-6-20(2)7-12-24)15-14-22-16-25(40(35,36)37)13-8-21(22)3/h4-13,16,26-27,30H,14-15,17-18H2,1-3H3,(H,35,36,37)/t26-,27-/m0/s1