azanyl 2-(4-methoxyphenyl)sulfonyl-2-methyl-7-oxidanylidene-7-[(phenylmethyl)amino]heptanoate

Systemtic Name: azanyl 2-(4-methoxyphenyl)sulfonyl-2-methyl-7-oxidanylidene-7-[(phenylmethyl)amino]heptanoate Openeye Name: amino 7-(benzylamino)-2-(4-methoxyphenyl)sulfonyl-2-methyl-7-oxo-heptanoate CAS Name: 2-(4-methoxyphenyl)sulfonyl-2-methyl-7-oxo-7-[(phenylmethyl)amino]heptanoic acid amino ester IUPAC Name: amino 7-(benzylamino)-2-(4-methoxyphenyl)sulfonyl-2-methyl-7-oxoheptanoate Traditional Name: 7-(benzylamino)-7-keto-2-(4-methoxyphenyl)sulfonyl-2-methyl-enanthic acid amino ester Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCC(=O)NCC1=CC=CC=C1)(C(=O)ON)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(CCCCC(=O)NCC1=CC=CC=C1)(C(=O)ON)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C22H28N2O6S/c1-22(21(26)30-23,31(27,28)19-13-11-18(29-2)12-14-19)15-7-6-10-20(25)24-16-17-8-4-3-5-9-17/h3-5,8-9,11-14H,6-7,10,15-16,23H2,1-2H3,(H,24,25)