(2-azanyl-2-oxidanylidene-ethyl) 4-chloranyl-3-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 4-chloranyl-3-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-benzoate Openeye Name: (2-amino-2-oxo-ethyl) 3-[(4-benzyl-1-piperidyl)sulfonyl]-4-chloro-benzoate CAS Name: 4-chloro-3-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]benzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 3-(4-benzylpiperidin-1-yl)sulfonyl-4-chlorobenzoate Traditional Name: 3-(4-benzylpiperidino)sulfonyl-4-chloro-benzoic acid (2-amino-2-keto-ethyl) ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OCC(=O)N)Cl

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OCC(=O)N)Cl

InChI

InChI=1S/C21H23ClN2O5S/c22-18-7-6-17(21(26)29-14-20(23)25)13-19(18)30(27,28)24-10-8-16(9-11-24)12-15-4-2-1-3-5-15/h1-7,13,16H,8-12,14H2,(H2,23,25)