N-(3-carbamimidoylphenyl)-3-phenyl-propanamide; 4-methylbenzenesulfonic acid

Systemtic Name: N-(3-carbamimidoylphenyl)-3-phenyl-propanamide; 4-methylbenzenesulfonic acid Openeye Name: N-(3-carbamimidoylphenyl)-3-phenyl-propanamide; 4-methylbenzenesulfonic acid CAS Name: N-(3-carbamimidoylphenyl)-3-phenylpropanamide; 4-methylbenzenesulfonic acid IUPAC Name: N-(3-carbamimidoylphenyl)-3-phenylpropanamide; 4-methylbenzenesulfonic acid Traditional Name: N-(3-amidinophenyl)-3-phenyl-propionamide; tosylic acid Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)CCC(=O)NC2=CC=CC(=C2)C(=N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)CCC(=O)NC2=CC=CC(=C2)C(=N)N

InChI

InChI=1S/C16H17N3O.C7H8O3S/c17-16(18)13-7-4-8-14(11-13)19-15(20)10-9-12-5-2-1-3-6-12;1-6-2-4-7(5-3-6)11(8,9)10/h1-8,11H,9-10H2,(H3,17,18)(H,19,20);2-5H,1H3,(H,8,9,10)