methyl (2R,3S)-3-methyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]pentanoate

Systemtic Name: methyl (2R,3S)-3-methyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]pentanoate Openeye Name: methyl (2R,3S)-3-methyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]pentanoate CAS Name: (2R,3S)-3-methyl-2-[[4-(1-pyrrolidinylsulfonyl)phenyl]sulfonylamino]pentanoic acid methyl ester IUPAC Name: methyl (2R,3S)-3-methyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]pentanoate Traditional Name: (2R,3S)-3-methyl-2-[(4-pyrrolidinosulfonylphenyl)sulfonylamino]valeric acid methyl ester Formula: C17H26N2O6S2 MolecularWeight: 418.52814

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)OC)NS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C17H26N2O6S2/c1-4-13(2)16(17(20)25-3)18-26(21,22)14-7-9-15(10-8-14)27(23,24)19-11-5-6-12-19/h7-10,13,16,18H,4-6,11-12H2,1-3H3/t13-,16+/m0/s1