[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-[(4-methylphenyl)sulfonylamino]ethanoate

Systemtic Name: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-[(4-methylphenyl)sulfonylamino]ethanoate Openeye Name: [(1S)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 2-(p-tolylsulfonylamino)acetate CAS Name: 2-[(4-methylphenyl)sulfonylamino]acetic acid [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate Traditional Name: 2-(tosylamino)acetic acid [(1S)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H22N2O7S/c1-13-3-6-16(7-4-13)30(25,26)22-11-19(23)29-14(2)20(24)21-10-15-5-8-17-18(9-15)28-12-27-17/h3-9,14,22H,10-12H2,1-2H3,(H,21,24)/t14-/m0/s1