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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC(CCCCC(=O)NCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC(CCCCC(=O)NCC2=CC=CC=C2)C(=O)OC

InChI

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