[(2S)-3-methyl-2-[methyl(phenylsulfonyl)amino]butyl] benzenesulfonate

Systemtic Name: [(2S)-3-methyl-2-[methyl(phenylsulfonyl)amino]butyl] benzenesulfonate Openeye Name: [(2S)-2-[benzenesulfonyl(methyl)amino]-3-methyl-butyl] benzenesulfonate CAS Name: benzenesulfonic acid [(2S)-2-[benzenesulfonyl(methyl)amino]-3-methylbutyl] ester IUPAC Name: [(2S)-2-[benzenesulfonyl(methyl)amino]-3-methylbutyl] benzenesulfonate Traditional Name: benzenesulfonic acid [(2S)-2-[besyl(methyl)amino]-3-methyl-butyl] ester Formula: C18H23NO5S2 MolecularWeight: 397.50892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(COS(=O)(=O)C1=CC=CC=C1)N(C)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](COS(=O)(=O)C1=CC=CC=C1)N(C)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H23NO5S2/c1-15(2)18(14-24-26(22,23)17-12-8-5-9-13-17)19(3)25(20,21)16-10-6-4-7-11-16/h4-13,15,18H,14H2,1-3H3/t18-/m1/s1