methyl 2-[4-[(4-chlorophenyl)methylcarbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[(4-chlorophenyl)methylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[(4-chlorophenyl)methylcarbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[[(4-chlorophenyl)methylamino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(4-chlorophenyl)methylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[(4-chlorobenzyl)carbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H23ClN2O5S/c1-29-21(26)18-4-2-3-5-19(18)30(27,28)24-12-10-16(11-13-24)20(25)23-14-15-6-8-17(22)9-7-15/h2-9,16H,10-14H2,1H3,(H,23,25)