ethyl 2-[4-[2-[(4-carbamimidoylphenyl)sulfonylamino]ethyl]phenoxy]-2-methyl-propanoate

Systemtic Name: ethyl 2-[4-[2-[(4-carbamimidoylphenyl)sulfonylamino]ethyl]phenoxy]-2-methyl-propanoate Openeye Name: ethyl 2-[4-[2-[(4-carbamimidoylphenyl)sulfonylamino]ethyl]phenoxy]-2-methyl-propanoate CAS Name: 2-[4-[2-[(4-carbamimidoylphenyl)sulfonylamino]ethyl]phenoxy]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-[(4-carbamimidoylphenyl)sulfonylamino]ethyl]phenoxy]-2-methylpropanoate Traditional Name: 2-[4-[2-[(4-amidinophenyl)sulfonylamino]ethyl]phenoxy]-2-methyl-propionic acid ethyl ester Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)OC1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCOC(=O)C(C)(C)OC1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H27N3O5S/c1-4-28-20(25)21(2,3)29-17-9-5-15(6-10-17)13-14-24-30(26,27)18-11-7-16(8-12-18)19(22)23/h5-12,24H,4,13-14H2,1-3H3,(H3,22,23)