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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(=O)OC

InChI

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