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

Systemtic Name: 4-[[[2-(dimethylamino)-5-morpholin-4-ylsulfonyl-phenyl]-pentanoyl-amino]methyl]benzoic acid Openeye Name: 4-[[2-(dimethylamino)-5-morpholinosulfonyl-N-pentanoyl-anilino]methyl]benzoic acid CAS Name: 4-[[2-(dimethylamino)-5-(4-morpholinylsulfonyl)-N-(1-oxopentyl)anilino]methyl]benzoic acid IUPAC Name: 4-[[2-(dimethylamino)-5-morpholin-4-ylsulfonyl-N-pentanoylanilino]methyl]benzoic acid Traditional Name: 4-[[2-(dimethylamino)-5-morpholinosulfonyl-N-valeryl-anilino]methyl]benzoic acid Formula: C25H33N3O6S MolecularWeight: 503.61102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O6S/c1-4-5-6-24(29)28(18-19-7-9-20(10-8-19)25(30)31)23-17-21(11-12-22(23)26(2)3)35(32,33)27-13-15-34-16-14-27/h7-12,17H,4-6,13-16,18H2,1-3H3,(H,30,31)