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

Systemtic Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone Openeye Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-[3-(1-piperidylsulfonyl)phenyl]methanone CAS Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-[3-(1-piperidinylsulfonyl)phenyl]methanone IUPAC Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-(3-piperidinosulfonylphenyl)methanone Formula: C22H26N2O3S2 MolecularWeight: 430.58344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H26N2O3S2/c1-17-12-15-24(20-10-3-4-11-21(20)28-17)22(25)18-8-7-9-19(16-18)29(26,27)23-13-5-2-6-14-23/h3-4,7-11,16-17H,2,5-6,12-15H2,1H3/t17-/m0/s1