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

Systemtic Name: ethyl 2-(1-carbamimidoylpiperidin-4-yl)-4-(2-chlorophenyl)sulfonyloxy-3-methoxy-6-methyl-benzoate Openeye Name: ethyl 2-(1-carbamimidoyl-4-piperidyl)-4-(2-chlorophenyl)sulfonyloxy-3-methoxy-6-methyl-benzoate CAS Name: 2-(1-carbamimidoyl-4-piperidinyl)-4-(2-chlorophenyl)sulfonyloxy-3-methoxy-6-methylbenzoic acid ethyl ester IUPAC Name: ethyl 2-(1-carbamimidoylpiperidin-4-yl)-4-(2-chlorophenyl)sulfonyloxy-3-methoxy-6-methylbenzoate Traditional Name: 2-(1-amidino-4-piperidyl)-4-(2-chlorophenyl)sulfonyloxy-3-methoxy-6-methyl-benzoic acid ethyl ester Formula: C23H28ClN3O6S MolecularWeight: 510.00292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(C=C1C)OS(=O)(=O)C2=CC=CC=C2Cl)OC)C3CCN(CC3)C(=N)N

Isomeric SMILES

CCOC(=O)C1=C(C(=C(C=C1C)OS(=O)(=O)C2=CC=CC=C2Cl)OC)C3CCN(CC3)C(=N)N

InChI

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