2-diethylaminoethyl 3-butoxy-4-[[2-(methylsulfonylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate

Systemtic Name: 2-diethylaminoethyl 3-butoxy-4-[[2-(methylsulfonylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate Openeye Name: 2-diethylaminoethyl 4-[[3-(4-benzyloxyphenyl)-2-(methanesulfonamido)propanoyl]amino]-3-butoxy-benzoate CAS Name: 3-butoxy-4-[[2-(methanesulfonamido)-1-oxo-3-(4-phenylmethoxyphenyl)propyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 3-butoxy-4-[[2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate Traditional Name: 4-[[3-(4-benzoxyphenyl)-2-(methanesulfonamido)propanoyl]amino]-3-butoxy-benzoic acid 2-diethylaminoethyl ester Formula: C34H45N3O7S MolecularWeight: 639.802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C(=O)OCCN(CC)CC)NC(=O)C(CC2=CC=C(C=C2)OCC3=CC=CC=C3)NS(=O)(=O)C

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)C(=O)OCCN(CC)CC)NC(=O)C(CC2=CC=C(C=C2)OCC3=CC=CC=C3)NS(=O)(=O)C

InChI

InChI=1S/C34H45N3O7S/c1-5-8-21-42-32-24-28(34(39)43-22-20-37(6-2)7-3)16-19-30(32)35-33(38)31(36-45(4,40)41)23-26-14-17-29(18-15-26)44-25-27-12-10-9-11-13-27/h9-19,24,31,36H,5-8,20-23,25H2,1-4H3,(H,35,38)