methyl 4-[(2-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]benzoate

Systemtic Name: methyl 4-[(2-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]benzoate Openeye Name: methyl 4-[[2-(1-piperidylsulfonyl)phenyl]methylcarbamoyl]benzoate CAS Name: 4-[oxo-[[2-(1-piperidinylsulfonyl)phenyl]methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]benzoate Traditional Name: 4-[(2-piperidinosulfonylbenzyl)carbamoyl]benzoic acid methyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H24N2O5S/c1-28-21(25)17-11-9-16(10-12-17)20(24)22-15-18-7-3-4-8-19(18)29(26,27)23-13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,22,24)