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

Systemtic Name: 2-diethylaminoethyl 3-butoxy-4-[[3-(4-phenylmethoxyphenyl)-2-(phenylsulfonylamino)propanoyl]amino]benzoate Openeye Name: 2-diethylaminoethyl 4-[[2-(benzenesulfonamido)-3-(4-benzyloxyphenyl)propanoyl]amino]-3-butoxy-benzoate CAS Name: 4-[[2-(benzenesulfonamido)-1-oxo-3-(4-phenylmethoxyphenyl)propyl]amino]-3-butoxybenzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[[2-(benzenesulfonamido)-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-butoxybenzoate Traditional Name: 4-[[2-(benzenesulfonamido)-3-(4-benzoxyphenyl)propanoyl]amino]-3-butoxy-benzoic acid 2-diethylaminoethyl ester Formula: C39H47N3O7S MolecularWeight: 701.87138

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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)C4=CC=CC=C4

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)C4=CC=CC=C4

InChI

InChI=1S/C39H47N3O7S/c1-4-7-25-47-37-28-32(39(44)48-26-24-42(5-2)6-3)20-23-35(37)40-38(43)36(41-50(45,46)34-16-12-9-13-17-34)27-30-18-21-33(22-19-30)49-29-31-14-10-8-11-15-31/h8-23,28,36,41H,4-7,24-27,29H2,1-3H3,(H,40,43)