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

Systemtic Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-[1-(1-methylpyrrol-3-yl)sulfonylpiperidin-4-yl]methanone Openeye Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-[1-(1-methylpyrrol-3-yl)sulfonyl-4-piperidyl]methanone CAS Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-[1-[(1-methyl-3-pyrrolyl)sulfonyl]-4-piperidinyl]methanone IUPAC Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-[1-(1-methylpyrrol-3-yl)sulfonylpiperidin-4-yl]methanone Traditional Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-[1-(1-methylpyrrol-3-yl)sulfonyl-4-piperidyl]methanone Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)C3CCN(CC3)S(=O)(=O)C4=CN(C=C4)C

InChI

InChI=1S/C21H27N3O3S2/c1-16-7-14-24(19-5-3-4-6-20(19)28-16)21(25)17-8-12-23(13-9-17)29(26,27)18-10-11-22(2)15-18/h3-6,10-11,15-17H,7-9,12-14H2,1-2H3/t16-/m0/s1