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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone CAS Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Formula: C22H27N3O3S2 MolecularWeight: 445.59808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)CC(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)CC(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N3O3S2/c26-22(17-24-11-6-16-29-21-10-5-4-9-20(21)24)23-12-14-25(15-13-23)30(27,28)18-19-7-2-1-3-8-19/h1-5,7-10H,6,11-18H2