(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone

Systemtic Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone Openeye Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[1-(p-tolylsulfonyl)-4-piperidyl]methanone CAS Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]methanone IUPAC Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone Traditional Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(1-tosyl-4-piperidyl)methanone Formula: C23H28N2O3S2 MolecularWeight: 444.61002

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

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