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

Systemtic Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(4-piperidin-1-ylsulfonylphenyl)ethanone Openeye Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[4-(1-piperidylsulfonyl)phenyl]ethanone CAS Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[4-(1-piperidinylsulfonyl)phenyl]ethanone IUPAC Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(4-piperidin-1-ylsulfonylphenyl)ethanone Traditional Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(4-piperidinosulfonylphenyl)ethanone Formula: C23H28N2O3S2 MolecularWeight: 444.61002

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H28N2O3S2/c1-18-13-16-25(21-7-3-4-8-22(21)29-18)23(26)17-19-9-11-20(12-10-19)30(27,28)24-14-5-2-6-15-24/h3-4,7-12,18H,2,5-6,13-17H2,1H3