2-(3,5-dimethyl-4-morpholin-4-ylsulfonyl-pyrazol-1-yl)-1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone

Systemtic Name: 2-(3,5-dimethyl-4-morpholin-4-ylsulfonyl-pyrazol-1-yl)-1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Openeye Name: 2-(3,5-dimethyl-4-morpholinosulfonyl-pyrazol-1-yl)-1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone CAS Name: 2-[3,5-dimethyl-4-(4-morpholinylsulfonyl)-1-pyrazolyl]-1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone IUPAC Name: 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Traditional Name: 2-(3,5-dimethyl-4-morpholinosulfonyl-pyrazol-1-yl)-1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Formula: C21H28N4O4S2 MolecularWeight: 464.60142

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CN3C(=C(C(=N3)C)S(=O)(=O)N4CCOCC4)C

Isomeric SMILES

C[C@@H]1CCN(C2=CC=CC=C2S1)C(=O)CN3C(=C(C(=N3)C)S(=O)(=O)N4CCOCC4)C

InChI

InChI=1S/C21H28N4O4S2/c1-15-8-9-24(18-6-4-5-7-19(18)30-15)20(26)14-25-17(3)21(16(2)22-25)31(27,28)23-10-12-29-13-11-23/h4-7,15H,8-14H2,1-3H3/t15-/m1/s1