[(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: [(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: [(1S)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetic acid [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetic acid [(1S)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H29N3O6S MolecularWeight: 439.52576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)OC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)NC1CCCCC1)OC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C20H29N3O6S/c1-14(20(26)22-16-7-5-4-6-8-16)29-19(25)13-23(3)30(27,28)18-11-9-17(10-12-18)21-15(2)24/h9-12,14,16H,4-8,13H2,1-3H3,(H,21,24)(H,22,26)/t14-/m0/s1