methyl 2-[(4-azanylnaphthalen-1-yl)carbonylamino]-4-methylsulfonyl-butanoate

Systemtic Name: methyl 2-[(4-azanylnaphthalen-1-yl)carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: methyl 2-[(4-aminonaphthalene-1-carbonyl)amino]-4-methylsulfonyl-butanoate CAS Name: 2-[[(4-amino-1-naphthalenyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid methyl ester IUPAC Name: methyl 2-[(4-aminonaphthalene-1-carbonyl)amino]-4-methylsulfonylbutanoate Traditional Name: 2-[(4-amino-1-naphthoyl)amino]-4-mesyl-butyric acid methyl ester Formula: C17H20N2O5S MolecularWeight: 364.4161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCS(=O)(=O)C)NC(=O)C1=CC=C(C2=CC=CC=C21)N

Isomeric SMILES

COC(=O)C(CCS(=O)(=O)C)NC(=O)C1=CC=C(C2=CC=CC=C21)N

InChI

InChI=1S/C17H20N2O5S/c1-24-17(21)15(9-10-25(2,22)23)19-16(20)13-7-8-14(18)12-6-4-3-5-11(12)13/h3-8,15H,9-10,18H2,1-2H3,(H,19,20)