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

Systemtic Name: butyl 4-[[6-methoxy-5-[(4-methylphenyl)sulfonylamino]-6-oxidanylidene-hexyl]carbamoylamino]benzoate Openeye Name: butyl 4-[[6-methoxy-6-oxo-5-(p-tolylsulfonylamino)hexyl]carbamoylamino]benzoate CAS Name: 4-[[[[6-methoxy-5-[(4-methylphenyl)sulfonylamino]-6-oxohexyl]amino]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[6-methoxy-5-[(4-methylphenyl)sulfonylamino]-6-oxohexyl]carbamoylamino]benzoate Traditional Name: 4-[[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=C(C=C1)NC(=O)NCCCCC(C(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=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)20-11-13-21(14-12-20)28-26(32)27-17-7-6-8-23(25(31)35-3)29-37(33,34)22-15-9-19(2)10-16-22/h9-16,23,29H,4-8,17-18H2,1-3H3,(H2,27,28,32)