methyl 3-(1-carbamimidoylpiperidin-4-yl)-5-(2-chlorophenyl)sulfonyloxy-4-methoxy-benzoate

Systemtic Name: methyl 3-(1-carbamimidoylpiperidin-4-yl)-5-(2-chlorophenyl)sulfonyloxy-4-methoxy-benzoate Openeye Name: methyl 3-(1-carbamimidoyl-4-piperidyl)-5-(2-chlorophenyl)sulfonyloxy-4-methoxy-benzoate CAS Name: 3-(1-carbamimidoyl-4-piperidinyl)-5-(2-chlorophenyl)sulfonyloxy-4-methoxybenzoic acid methyl ester IUPAC Name: methyl 3-(1-carbamimidoylpiperidin-4-yl)-5-(2-chlorophenyl)sulfonyloxy-4-methoxybenzoate Traditional Name: 3-(1-amidino-4-piperidyl)-5-(2-chlorophenyl)sulfonyloxy-4-methoxy-benzoic acid methyl ester Formula: C21H24ClN3O6S MolecularWeight: 481.94976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1OS(=O)(=O)C2=CC=CC=C2Cl)C(=O)OC)C3CCN(CC3)C(=N)N

Isomeric SMILES

COC1=C(C=C(C=C1OS(=O)(=O)C2=CC=CC=C2Cl)C(=O)OC)C3CCN(CC3)C(=N)N

InChI

InChI=1S/C21H24ClN3O6S/c1-29-19-15(13-7-9-25(10-8-13)21(23)24)11-14(20(26)30-2)12-17(19)31-32(27,28)18-6-4-3-5-16(18)22/h3-6,11-13H,7-10H2,1-2H3,(H3,23,24)