methyl (2S)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoate

Systemtic Name: methyl (2S)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoate Openeye Name: methyl (2S)-3-(3-carbamimidoylphenyl)-2-(2-naphthylsulfonylamino)propanoate CAS Name: (2S)-3-(3-carbamimidoylphenyl)-2-(2-naphthalenylsulfonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoate Traditional Name: (2S)-3-(3-amidinophenyl)-2-(2-naphthylsulfonylamino)propionic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC(=C1)C(=N)N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC(=C1)C(=N)N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H21N3O4S/c1-28-21(25)19(12-14-5-4-8-17(11-14)20(22)23)24-29(26,27)18-10-9-15-6-2-3-7-16(15)13-18/h2-11,13,19,24H,12H2,1H3,(H3,22,23)/t19-/m0/s1