[2-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-phenoxypropanoate

Systemtic Name: [2-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-phenoxypropanoate Openeye Name: [2-(2-chloro-5-morpholinosulfonyl-anilino)-2-oxo-ethyl] 3-phenoxypropanoate CAS Name: 3-phenoxypropanoic acid [2-[2-chloro-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-phenoxypropanoate Traditional Name: 3-phenoxypropionic acid [2-(2-chloro-5-morpholinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C21H23ClN2O7S MolecularWeight: 482.93452

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)CCOC3=CC=CC=C3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H23ClN2O7S/c22-18-7-6-17(32(27,28)24-9-12-29-13-10-24)14-19(18)23-20(25)15-31-21(26)8-11-30-16-4-2-1-3-5-16/h1-7,14H,8-13,15H2,(H,23,25)