methyl 3-[[6-methoxy-5-[(4-methylphenyl)sulfonylamino]-6-oxidanylidene-hexyl]carbamoylamino]benzoate

Systemtic Name: methyl 3-[[6-methoxy-5-[(4-methylphenyl)sulfonylamino]-6-oxidanylidene-hexyl]carbamoylamino]benzoate Openeye Name: methyl 3-[[6-methoxy-6-oxo-5-(p-tolylsulfonylamino)hexyl]carbamoylamino]benzoate CAS Name: 3-[[[[6-methoxy-5-[(4-methylphenyl)sulfonylamino]-6-oxohexyl]amino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[6-methoxy-5-[(4-methylphenyl)sulfonylamino]-6-oxohexyl]carbamoylamino]benzoate Traditional Name: 3-[[6-keto-6-methoxy-5-(tosylamino)hexyl]carbamoylamino]benzoic acid methyl ester Formula: C23H29N3O7S MolecularWeight: 491.55726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNC(=O)NC2=CC=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNC(=O)NC2=CC=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C23H29N3O7S/c1-16-10-12-19(13-11-16)34(30,31)26-20(22(28)33-3)9-4-5-14-24-23(29)25-18-8-6-7-17(15-18)21(27)32-2/h6-8,10-13,15,20,26H,4-5,9,14H2,1-3H3,(H2,24,25,29)