2-[4-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetyl]piperazino]sulfonylbenzonitrile Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H24N4O3S2/c23-16-18-6-1-4-9-21(18)31(28,29)26-13-11-24(12-14-26)22(27)17-25-10-5-15-30-20-8-3-2-7-19(20)25/h1-4,6-9H,5,10-15,17H2