3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)benzenecarbonitrile

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)benzenecarbonitrile Openeye Name: 3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)benzonitrile CAS Name: 3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)benzonitrile IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)benzonitrile Traditional Name: 3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)benzonitrile Formula: C16H14N2O2S2 MolecularWeight: 330.42456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)S(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)S(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C16H14N2O2S2/c17-12-13-5-3-6-14(11-13)22(19,20)18-9-4-10-21-16-8-2-1-7-15(16)18/h1-3,5-8,11H,4,9-10H2