2-azanyl-3-(4-carbamimidoylphenyl)-2-(4-methylphenyl)sulfonyl-propanoic acid

Systemtic Name: 2-azanyl-3-(4-carbamimidoylphenyl)-2-(4-methylphenyl)sulfonyl-propanoic acid Openeye Name: 2-amino-3-(4-carbamimidoylphenyl)-2-(p-tolylsulfonyl)propanoic acid CAS Name: 2-amino-3-(4-carbamimidoylphenyl)-2-(4-methylphenyl)sulfonylpropanoic acid IUPAC Name: 2-amino-3-(4-carbamimidoylphenyl)-2-(4-methylphenyl)sulfonylpropanoic acid Traditional Name: 3-(4-amidinophenyl)-2-amino-2-tosyl-propionic acid Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CC2=CC=C(C=C2)C(=N)N)(C(=O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CC2=CC=C(C=C2)C(=N)N)(C(=O)O)N

InChI

InChI=1S/C17H19N3O4S/c1-11-2-8-14(9-3-11)25(23,24)17(20,16(21)22)10-12-4-6-13(7-5-12)15(18)19/h2-9H,10,20H2,1H3,(H3,18,19)(H,21,22)