ethyl 4-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[3,4-dihydro-2H-1,5-benzothiazepin-5-yl(oxo)methyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)piperidino]sulfonylbenzoic acid ethyl ester Formula: C24H28N2O5S2 MolecularWeight: 488.61952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCSC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCSC4=CC=CC=C43

InChI

InChI=1S/C24H28N2O5S2/c1-2-31-24(28)19-8-10-20(11-9-19)33(29,30)25-15-12-18(13-16-25)23(27)26-14-5-17-32-22-7-4-3-6-21(22)26/h3-4,6-11,18H,2,5,12-17H2,1H3