ethyl 4-[4-[(phenylmethyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[(phenylmethyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-(benzylcarbamoyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[oxo-[(phenylmethyl)amino]methyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(benzylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(benzylcarbamoyl)piperidino]sulfonylbenzoic acid ethyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O5S/c1-2-29-22(26)19-8-10-20(11-9-19)30(27,28)24-14-12-18(13-15-24)21(25)23-16-17-6-4-3-5-7-17/h3-11,18H,2,12-16H2,1H3,(H,23,25)