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

Systemtic Name: methyl 4-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]benzoate Openeye Name: methyl 4-[[4-(1-piperidylsulfonyl)phenyl]methylcarbamoyl]benzoate CAS Name: 4-[oxo-[[4-(1-piperidinylsulfonyl)phenyl]methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]benzoate Traditional Name: 4-[(4-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=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H24N2O5S/c1-28-21(25)18-9-7-17(8-10-18)20(24)22-15-16-5-11-19(12-6-16)29(26,27)23-13-3-2-4-14-23/h5-12H,2-4,13-15H2,1H3,(H,22,24)