methyl 4-[[[2-(dimethylamino)-5-morpholin-4-ylsulfonyl-phenyl]-pentanoyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[[2-(dimethylamino)-5-morpholin-4-ylsulfonyl-phenyl]-pentanoyl-amino]methyl]benzoate Openeye Name: methyl 4-[[2-(dimethylamino)-5-morpholinosulfonyl-N-pentanoyl-anilino]methyl]benzoate CAS Name: 4-[[2-(dimethylamino)-5-(4-morpholinylsulfonyl)-N-(1-oxopentyl)anilino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(dimethylamino)-5-morpholin-4-ylsulfonyl-N-pentanoylanilino]methyl]benzoate Traditional Name: 4-[[2-(dimethylamino)-5-morpholinosulfonyl-N-valeryl-anilino]methyl]benzoic acid methyl ester Formula: C26H35N3O6S MolecularWeight: 517.6376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC=C(C=C1)C(=O)OC)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N(C)C

Isomeric SMILES

CCCCC(=O)N(CC1=CC=C(C=C1)C(=O)OC)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N(C)C

InChI

InChI=1S/C26H35N3O6S/c1-5-6-7-25(30)29(19-20-8-10-21(11-9-20)26(31)34-4)24-18-22(12-13-23(24)27(2)3)36(32,33)28-14-16-35-17-15-28/h8-13,18H,5-7,14-17,19H2,1-4H3