2-[(3-isocyanophenyl)methyl]-2-(methoxycarbonylamino)-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[(3-isocyanophenyl)methyl]-2-(methoxycarbonylamino)-4-methylsulfonyl-butanoic acid Openeye Name: 2-[(3-isocyanophenyl)methyl]-2-(methoxycarbonylamino)-4-methylsulfonyl-butanoic acid CAS Name: 2-[(3-isocyanophenyl)methyl]-2-(methoxycarbonylamino)-4-methylsulfonylbutanoic acid IUPAC Name: 2-[(3-isocyanophenyl)methyl]-2-(methoxycarbonylamino)-4-methylsulfonylbutanoic acid Traditional Name: 2-(carbomethoxyamino)-2-(3-isocyanobenzyl)-4-mesyl-butyric acid Formula: C15H18N2O6S MolecularWeight: 354.37822

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(CCS(=O)(=O)C)(CC1=CC(=CC=C1)[N+]#[C-])C(=O)O

Isomeric SMILES

COC(=O)NC(CCS(=O)(=O)C)(CC1=CC(=CC=C1)[N+]#[C-])C(=O)O

InChI

InChI=1S/C15H18N2O6S/c1-16-12-6-4-5-11(9-12)10-15(13(18)19,17-14(20)23-2)7-8-24(3,21)22/h4-6,9H,7-8,10H2,2-3H3,(H,17,20)(H,18,19)