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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-[4-[(E)-styryl]sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-[4-[(E)-styryl]sulfonylpiperazino]ethanone Formula: C23H27N3O3S2 MolecularWeight: 457.60878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3S2/c27-23(19-25-12-6-17-30-22-10-5-4-9-21(22)25)24-13-15-26(16-14-24)31(28,29)18-11-20-7-2-1-3-8-20/h1-5,7-11,18H,6,12-17,19H2/b18-11+