dimethyl 5-[4-[(aminocarbonylamino)methyl]piperidin-1-yl]sulfonylbenzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[4-[(aminocarbonylamino)methyl]piperidin-1-yl]sulfonylbenzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-(ureidomethyl)-1-piperidyl]sulfonyl]benzene-1,3-dicarboxylate CAS Name: 5-[[4-[(carbamoylamino)methyl]-1-piperidinyl]sulfonyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[4-[(carbamoylamino)methyl]piperidin-1-yl]sulfonylbenzene-1,3-dicarboxylate Traditional Name: 5-[4-(ureidomethyl)piperidino]sulfonylbenzene-1,3-dicarboxylic acid dimethyl ester Formula: C17H23N3O7S MolecularWeight: 413.44542

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)N2CCC(CC2)CNC(=O)N)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)N2CCC(CC2)CNC(=O)N)C(=O)OC

InChI

InChI=1S/C17H23N3O7S/c1-26-15(21)12-7-13(16(22)27-2)9-14(8-12)28(24,25)20-5-3-11(4-6-20)10-19-17(18)23/h7-9,11H,3-6,10H2,1-2H3,(H3,18,19,23)