[2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: [2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: (2-oxo-2-ureido-ethyl) 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid [2-(carbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(carbamoylamino)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid (2-keto-2-ureido-ethyl) ester Formula: C17H23N3O7S MolecularWeight: 413.44542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)N)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)N)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C17H23N3O7S/c1-26-13-7-6-12(16(22)27-11-15(21)19-17(18)23)10-14(13)28(24,25)20-8-4-2-3-5-9-20/h6-7,10H,2-5,8-9,11H2,1H3,(H3,18,19,21,23)