methyl 4-[[4-[2-methoxyethyl(thiophen-2-ylsulfonyl)amino]piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[2-methoxyethyl(thiophen-2-ylsulfonyl)amino]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[2-methoxyethyl(2-thienylsulfonyl)amino]-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-[2-methoxyethyl(thiophen-2-ylsulfonyl)amino]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[2-methoxyethyl(thiophen-2-ylsulfonyl)amino]piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[2-methoxyethyl(2-thienylsulfonyl)amino]piperidino]methyl]benzoic acid methyl ester Formula: C21H28N2O5S2 MolecularWeight: 452.58742

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(C1CCN(CC1)CC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

COCCN(C1CCN(CC1)CC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H28N2O5S2/c1-27-14-13-23(30(25,26)20-4-3-15-29-20)19-9-11-22(12-10-19)16-17-5-7-18(8-6-17)21(24)28-2/h3-8,15,19H,9-14,16H2,1-2H3