methyl 2-[4-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[(2-amino-2-oxo-ethyl)carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[[(2-amino-2-oxoethyl)amino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(2-amino-2-oxoethyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[(2-amino-2-keto-ethyl)carbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C16H21N3O6S MolecularWeight: 383.41944

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NCC(=O)N

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NCC(=O)N

InChI

InChI=1S/C16H21N3O6S/c1-25-16(22)12-4-2-3-5-13(12)26(23,24)19-8-6-11(7-9-19)15(21)18-10-14(17)20/h2-5,11H,6-10H2,1H3,(H2,17,20)(H,18,21)