(4-methoxyphenyl)sulfonyl 2-ethyl-4-[(phenylmethyl)amino]butanoate

Systemtic Name: (4-methoxyphenyl)sulfonyl 2-ethyl-4-[(phenylmethyl)amino]butanoate Openeye Name: (4-methoxyphenyl)sulfonyl 4-(benzylamino)-2-ethyl-butanoate CAS Name: 2-ethyl-4-[(phenylmethyl)amino]butanoic acid (4-methoxyphenyl)sulfonyl ester IUPAC Name: (4-methoxyphenyl)sulfonyl 4-(benzylamino)-2-ethylbutanoate Traditional Name: 4-(benzylamino)-2-ethyl-butyric acid (4-methoxyphenyl)sulfonyl ester Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCNCC1=CC=CC=C1)C(=O)OS(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCC(CCNCC1=CC=CC=C1)C(=O)OS(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C20H25NO5S/c1-3-17(13-14-21-15-16-7-5-4-6-8-16)20(22)26-27(23,24)19-11-9-18(25-2)10-12-19/h4-12,17,21H,3,13-15H2,1-2H3