1-[4-[3-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)carbonyl]phenyl]sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-[3-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)carbonyl]phenyl]sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone CAS Name: 1-[4-[3-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-oxomethyl]phenyl]sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-[4-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone Traditional Name: 1-[4-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)phenyl]sulfonylpiperazino]ethanone Formula: C23H27N3O4S2 MolecularWeight: 473.60818

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C(=O)C

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C(=O)C

InChI

InChI=1S/C23H27N3O4S2/c1-17-10-11-26(21-8-3-4-9-22(21)31-17)23(28)19-6-5-7-20(16-19)32(29,30)25-14-12-24(13-15-25)18(2)27/h3-9,16-17H,10-15H2,1-2H3