methyl 6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate

Systemtic Name: methyl 6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: methyl 6-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-2-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-(naphthionylamino)-2-(tosylamino)hexanoic acid methyl ester Formula: C26H33N3O6S2 MolecularWeight: 547.68672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C)C(=O)OC

InChI

InChI=1S/C26H33N3O6S2/c1-19-14-16-20(17-15-19)36(31,32)28-23(26(30)35-4)11-5-6-18-27-37(33,34)25-13-8-9-21-22(25)10-7-12-24(21)29(2)3/h7-10,12-17,23,27-28H,5-6,11,18H2,1-4H3