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

Systemtic Name: [(4-carbamimidoylphenyl)amino] 2-[3-ethyl-5-(1-methylsulfonylpiperidin-4-yl)oxy-phenyl]ethanoate hydrochloride Openeye Name: (4-carbamimidoylanilino) 2-[3-ethyl-5-[(1-methylsulfonyl-4-piperidyl)oxy]phenyl]acetate hydrochloride CAS Name: 2-[3-ethyl-5-[(1-methylsulfonyl-4-piperidinyl)oxy]phenyl]acetic acid (4-carbamimidoylanilino) ester hydrochloride IUPAC Name: (4-carbamimidoylanilino) 2-[3-ethyl-5-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]acetate hydrochloride Traditional Name: 2-[3-ethyl-5-[(1-mesyl-4-piperidyl)oxy]phenyl]acetic acid (4-amidinoanilino) ester hydrochloride Formula: C23H31ClN4O5S MolecularWeight: 511.03404

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)CC(=O)ONC2=CC=C(C=C2)C(=N)N)OC3CCN(CC3)S(=O)(=O)C.Cl

Isomeric SMILES

CCC1=CC(=CC(=C1)CC(=O)ONC2=CC=C(C=C2)C(=N)N)OC3CCN(CC3)S(=O)(=O)C.Cl

InChI

InChI=1S/C23H30N4O5S.ClH/c1-3-16-12-17(15-22(28)32-26-19-6-4-18(5-7-19)23(24)25)14-21(13-16)31-20-8-10-27(11-9-20)33(2,29)30;/h4-7,12-14,20,26H,3,8-11,15H2,1-2H3,(H3,24,25);1H