butyl 2-[[6-methoxy-5-[(4-methylphenyl)sulfonylamino]-6-oxidanylidene-hexyl]carbamoylamino]benzoate

Systemtic Name: butyl 2-[[6-methoxy-5-[(4-methylphenyl)sulfonylamino]-6-oxidanylidene-hexyl]carbamoylamino]benzoate Openeye Name: butyl 2-[[6-methoxy-6-oxo-5-(p-tolylsulfonylamino)hexyl]carbamoylamino]benzoate CAS Name: 2-[[[[6-methoxy-5-[(4-methylphenyl)sulfonylamino]-6-oxohexyl]amino]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 2-[[6-methoxy-5-[(4-methylphenyl)sulfonylamino]-6-oxohexyl]carbamoylamino]benzoate Traditional Name: 2-[[6-keto-6-methoxy-5-(tosylamino)hexyl]carbamoylamino]benzoic acid butyl ester Formula: C26H35N3O7S MolecularWeight: 533.637

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC=C1NC(=O)NCCCCC(C(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCOC(=O)C1=CC=CC=C1NC(=O)NCCCCC(C(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C26H35N3O7S/c1-4-5-18-36-24(30)21-10-6-7-11-22(21)28-26(32)27-17-9-8-12-23(25(31)35-3)29-37(33,34)20-15-13-19(2)14-16-20/h6-7,10-11,13-16,23,29H,4-5,8-9,12,17-18H2,1-3H3,(H2,27,28,32)