(6-carbamimidoylnaphthalen-2-yl) (E)-3-(4-aminophenyl)prop-2-enoate; methanesulfonic acid

Systemtic Name: (6-carbamimidoylnaphthalen-2-yl) (E)-3-(4-aminophenyl)prop-2-enoate; methanesulfonic acid Openeye Name: (6-carbamimidoyl-2-naphthyl) (E)-3-(4-aminophenyl)prop-2-enoate; methanesulfonic acid CAS Name: (E)-3-(4-aminophenyl)-2-propenoic acid (6-carbamimidoyl-2-naphthalenyl) ester; methanesulfonic acid IUPAC Name: (6-carbamimidoylnaphthalen-2-yl) (E)-3-(4-aminophenyl)prop-2-enoate; methanesulfonic acid Traditional Name: (E)-3-(4-aminophenyl)acrylic acid (6-amidino-2-naphthyl) ester; mesylic acid Formula: C22H25N3O8S2 MolecularWeight: 523.5792

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.CS(=O)(=O)O.C1=CC(=CC=C1C=CC(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N)N

Isomeric SMILES

CS(=O)(=O)O.CS(=O)(=O)O.C1=CC(=CC=C1/C=C/C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N)N

InChI

InChI=1S/C20H17N3O2.2CH4O3S/c21-17-7-1-13(2-8-17)3-10-19(24)25-18-9-6-14-11-16(20(22)23)5-4-15(14)12-18;2*1-5(2,3)4/h1-12H,21H2,(H3,22,23);2*1H3,(H,2,3,4)/b10-3+;;