N-[4-[4-(3-carbamimidoylphenyl)butyl]phenyl]ethanamide; 4-methylbenzenesulfonic acid

Systemtic Name: N-[4-[4-(3-carbamimidoylphenyl)butyl]phenyl]ethanamide; 4-methylbenzenesulfonic acid Openeye Name: N-[4-[4-(3-carbamimidoylphenyl)butyl]phenyl]acetamide; 4-methylbenzenesulfonic acid CAS Name: N-[4-[4-(3-carbamimidoylphenyl)butyl]phenyl]acetamide; 4-methylbenzenesulfonic acid IUPAC Name: N-[4-[4-(3-carbamimidoylphenyl)butyl]phenyl]acetamide; 4-methylbenzenesulfonic acid Traditional Name: N-[4-[4-(3-amidinophenyl)butyl]phenyl]acetamide; tosylic acid Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)NC1=CC=C(C=C1)CCCCC2=CC=CC(=C2)C(=N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)NC1=CC=C(C=C1)CCCCC2=CC=CC(=C2)C(=N)N

InChI

InChI=1S/C19H23N3O.C7H8O3S/c1-14(23)22-18-11-9-15(10-12-18)5-2-3-6-16-7-4-8-17(13-16)19(20)21;1-6-2-4-7(5-3-6)11(8,9)10/h4,7-13H,2-3,5-6H2,1H3,(H3,20,21)(H,22,23);2-5H,1H3,(H,8,9,10)