N-[3-[3-(3-carbamimidoylphenoxy)propoxy]phenyl]ethanamide; 4-methylbenzenesulfonic acid

Systemtic Name: N-[3-[3-(3-carbamimidoylphenoxy)propoxy]phenyl]ethanamide; 4-methylbenzenesulfonic acid Openeye Name: N-[3-[3-(3-carbamimidoylphenoxy)propoxy]phenyl]acetamide; 4-methylbenzenesulfonic acid CAS Name: N-[3-[3-(3-carbamimidoylphenoxy)propoxy]phenyl]acetamide; 4-methylbenzenesulfonic acid IUPAC Name: N-[3-[3-(3-carbamimidoylphenoxy)propoxy]phenyl]acetamide; 4-methylbenzenesulfonic acid Traditional Name: N-[3-[3-(3-amidinophenoxy)propoxy]phenyl]acetamide; tosylic acid Formula: C25H29N3O6S MolecularWeight: 499.57926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)NC1=CC(=CC=C1)OCCCOC2=CC=CC(=C2)C(=N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)NC1=CC(=CC=C1)OCCCOC2=CC=CC(=C2)C(=N)N

InChI

InChI=1S/C18H21N3O3.C7H8O3S/c1-13(22)21-15-6-3-8-17(12-15)24-10-4-9-23-16-7-2-5-14(11-16)18(19)20;1-6-2-4-7(5-3-6)11(8,9)10/h2-3,5-8,11-12H,4,9-10H2,1H3,(H3,19,20)(H,21,22);2-5H,1H3,(H,8,9,10)