2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-(1-methylsulfonylpiperidin-4-yl)oxy-phenyl]ethanoate hydrochloride

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-(1-methylsulfonylpiperidin-4-yl)oxy-phenyl]ethanoate hydrochloride Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-[(1-methylsulfonyl-4-piperidyl)oxy]phenyl]acetate hydrochloride CAS Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-[(1-methylsulfonyl-4-piperidinyl)oxy]phenyl]acetate hydrochloride IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-[3-ethoxy-5-[(1-mesyl-4-piperidyl)oxy]phenyl]acetate hydrochloride Formula: C23H30ClN4O6S- MolecularWeight: 526.0255

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)OC2CCN(CC2)S(=O)(=O)C)C(C(=O)[O-])NC3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

CCOC1=CC(=CC(=C1)OC2CCN(CC2)S(=O)(=O)C)C(C(=O)[O-])NC3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C23H30N4O6S.ClH/c1-3-32-19-12-16(21(23(28)29)26-17-6-4-15(5-7-17)22(24)25)13-20(14-19)33-18-8-10-27(11-9-18)34(2,30)31;/h4-7,12-14,18,21,26H,3,8-11H2,1-2H3,(H3,24,25)(H,28,29);1H/p-1