ethyl 4-(1-carbamimidoylpiperidin-4-yl)-6-(2-chlorophenyl)sulfonyloxy-3-methoxy-2-methyl-benzoate hydrochloride

Systemtic Name: ethyl 4-(1-carbamimidoylpiperidin-4-yl)-6-(2-chlorophenyl)sulfonyloxy-3-methoxy-2-methyl-benzoate hydrochloride Openeye Name: ethyl 4-(1-carbamimidoyl-4-piperidyl)-6-(2-chlorophenyl)sulfonyloxy-3-methoxy-2-methyl-benzoate hydrochloride CAS Name: 4-(1-carbamimidoyl-4-piperidinyl)-6-(2-chlorophenyl)sulfonyloxy-3-methoxy-2-methylbenzoic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-(1-carbamimidoylpiperidin-4-yl)-6-(2-chlorophenyl)sulfonyloxy-3-methoxy-2-methylbenzoate hydrochloride Traditional Name: 4-(1-amidino-4-piperidyl)-6-(2-chlorophenyl)sulfonyloxy-3-methoxy-2-methyl-benzoic acid ethyl ester hydrochloride Formula: C23H29Cl2N3O6S MolecularWeight: 546.46386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C(=C1C)OC)C2CCN(CC2)C(=N)N)OS(=O)(=O)C3=CC=CC=C3Cl.Cl

Isomeric SMILES

CCOC(=O)C1=C(C=C(C(=C1C)OC)C2CCN(CC2)C(=N)N)OS(=O)(=O)C3=CC=CC=C3Cl.Cl

InChI

InChI=1S/C23H28ClN3O6S.ClH/c1-4-32-22(28)20-14(2)21(31-3)16(15-9-11-27(12-10-15)23(25)26)13-18(20)33-34(29,30)19-8-6-5-7-17(19)24;/h5-8,13,15H,4,9-12H2,1-3H3,(H3,25,26);1H