methyl 2-[3-(1-carbamimidoylpiperidin-4-yl)-2-methoxy-5-methyl-phenoxy]sulfonylbenzoate hydrochloride

Systemtic Name: methyl 2-[3-(1-carbamimidoylpiperidin-4-yl)-2-methoxy-5-methyl-phenoxy]sulfonylbenzoate hydrochloride Openeye Name: methyl 2-[3-(1-carbamimidoyl-4-piperidyl)-2-methoxy-5-methyl-phenoxy]sulfonylbenzoate hydrochloride CAS Name: 2-[3-(1-carbamimidoyl-4-piperidinyl)-2-methoxy-5-methylphenoxy]sulfonylbenzoic acid methyl ester hydrochloride IUPAC Name: methyl 2-[3-(1-carbamimidoylpiperidin-4-yl)-2-methoxy-5-methylphenoxy]sulfonylbenzoate hydrochloride Traditional Name: 2-[3-(1-amidino-4-piperidyl)-2-methoxy-5-methyl-phenoxy]sulfonylbenzoic acid methyl ester hydrochloride Formula: C22H28ClN3O6S MolecularWeight: 497.99222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2CCN(CC2)C(=N)N)OC)OS(=O)(=O)C3=CC=CC=C3C(=O)OC.Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)C2CCN(CC2)C(=N)N)OC)OS(=O)(=O)C3=CC=CC=C3C(=O)OC.Cl

InChI

InChI=1S/C22H27N3O6S.ClH/c1-14-12-17(15-8-10-25(11-9-15)22(23)24)20(29-2)18(13-14)31-32(27,28)19-7-5-4-6-16(19)21(26)30-3;/h4-7,12-13,15H,8-11H2,1-3H3,(H3,23,24);1H