4-[5-(4-carbamimidoylphenoxy)pentoxy]-N-phenyl-N-propan-2-yl-benzamide; methanesulfonic acid

Systemtic Name: 4-[5-(4-carbamimidoylphenoxy)pentoxy]-N-phenyl-N-propan-2-yl-benzamide; methanesulfonic acid Openeye Name: 4-[5-(4-carbamimidoylphenoxy)pentoxy]-N-isopropyl-N-phenyl-benzamide; methanesulfonic acid CAS Name: 4-[5-(4-carbamimidoylphenoxy)pentoxy]-N-phenyl-N-propan-2-ylbenzamide; methanesulfonic acid IUPAC Name: 4-[5-(4-carbamimidoylphenoxy)pentoxy]-N-phenyl-N-propan-2-ylbenzamide; methanesulfonic acid Traditional Name: 4-[5-(4-amidinophenoxy)pentoxy]-N-isopropyl-N-phenyl-benzamide; mesylic acid Formula: C29H37N3O6S MolecularWeight: 555.68558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)OCCCCCOC3=CC=C(C=C3)C(=N)N.CS(=O)(=O)O

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)OCCCCCOC3=CC=C(C=C3)C(=N)N.CS(=O)(=O)O

InChI

InChI=1S/C28H33N3O3.CH4O3S/c1-21(2)31(24-9-5-3-6-10-24)28(32)23-13-17-26(18-14-23)34-20-8-4-7-19-33-25-15-11-22(12-16-25)27(29)30;1-5(2,3)4/h3,5-6,9-18,21H,4,7-8,19-20H2,1-2H3,(H3,29,30);1H3,(H,2,3,4)