3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(3-piperidin-1-ylsulfonylphenyl)methanone

Systemtic Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(3-piperidin-1-ylsulfonylphenyl)methanone Openeye Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[3-(1-piperidylsulfonyl)phenyl]methanone CAS Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[3-(1-piperidinylsulfonyl)phenyl]methanone IUPAC Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(3-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(3-piperidinosulfonylphenyl)methanone Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCSC4=CC=CC=C43

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCSC4=CC=CC=C43

InChI

InChI=1S/C21H24N2O3S2/c24-21(23-14-7-15-27-20-11-3-2-10-19(20)23)17-8-6-9-18(16-17)28(25,26)22-12-4-1-5-13-22/h2-3,6,8-11,16H,1,4-5,7,12-15H2