phenyl 1-oxidanylidene-2-[phenyl-(propan-2-ylsulfonylcarbonylamino)methyl]butane-1-sulfonate

Systemtic Name: phenyl 1-oxidanylidene-2-[phenyl-(propan-2-ylsulfonylcarbonylamino)methyl]butane-1-sulfonate Openeye Name: phenyl 2-[(isopropylsulfonylcarbonylamino)-phenyl-methyl]-1-oxo-butane-1-sulfonate CAS Name: 1-oxo-2-[[[oxo(propan-2-ylsulfonyl)methyl]amino]-phenylmethyl]-1-butanesulfonic acid IUPAC Name: phenyl 1-oxo-2-[phenyl-(propan-2-ylsulfonylcarbonylamino)methyl]butane-1-sulfonate Traditional Name: 2-[(isopropylsulfonylcarbonylamino)-phenyl-methyl]-1-keto-butane-1-sulfonic acid phenyl ester Formula: C21H25NO7S2 MolecularWeight: 467.5557

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC=CC=C1)NC(=O)S(=O)(=O)C(C)C)C(=O)S(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CCC(C(C1=CC=CC=C1)NC(=O)S(=O)(=O)C(C)C)C(=O)S(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C21H25NO7S2/c1-4-18(20(23)31(27,28)29-17-13-9-6-10-14-17)19(16-11-7-5-8-12-16)22-21(24)30(25,26)15(2)3/h5-15,18-19H,4H2,1-3H3,(H,22,24)