methyl 4-(4-phenethylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: methyl 4-(4-phenethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: methyl 4-[(4-phenethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(4-phenethyl-1-piperidinyl)sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-phenethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-phenethylpiperidino)sulfonylbenzoic acid methyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H25NO4S/c1-26-21(23)19-9-11-20(12-10-19)27(24,25)22-15-13-18(14-16-22)8-7-17-5-3-2-4-6-17/h2-6,9-12,18H,7-8,13-16H2,1H3