[2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(phenylmethyl)benzoate

Systemtic Name: [2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(phenylmethyl)benzoate Openeye Name: [2-(2-methyl-5-morpholinosulfonyl-anilino)-2-oxo-ethyl] 2-benzylbenzoate CAS Name: 2-(phenylmethyl)benzoic acid [2-[2-methyl-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-benzylbenzoate Traditional Name: 2-benzylbenzoic acid [2-keto-2-(2-methyl-5-morpholinosulfonyl-anilino)ethyl] ester Formula: C27H28N2O6S MolecularWeight: 508.58602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)C3=CC=CC=C3CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)C3=CC=CC=C3CC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O6S/c1-20-11-12-23(36(32,33)29-13-15-34-16-14-29)18-25(20)28-26(30)19-35-27(31)24-10-6-5-9-22(24)17-21-7-3-2-4-8-21/h2-12,18H,13-17,19H2,1H3,(H,28,30)