ethyl 4-[4-[butan-2-yl-(phenylmethyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[butan-2-yl-(phenylmethyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-[benzyl(sec-butyl)carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[[butan-2-yl-(phenylmethyl)amino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[benzyl(butan-2-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[benzyl(sec-butyl)carbamoyl]piperidino]sulfonylbenzoic acid ethyl ester Formula: C26H34N2O5S MolecularWeight: 486.62356

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=CC=C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCC(C)N(CC1=CC=CC=C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C26H34N2O5S/c1-4-20(3)28(19-21-9-7-6-8-10-21)25(29)22-15-17-27(18-16-22)34(31,32)24-13-11-23(12-14-24)26(30)33-5-2/h6-14,20,22H,4-5,15-19H2,1-3H3