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

Systemtic Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone Openeye Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone CAS Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-[3-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-(3-pyrrolidinosulfonylphenyl)methanone Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H24N2O3S2/c1-16-11-14-23(19-9-2-3-10-20(19)27-16)21(24)17-7-6-8-18(15-17)28(25,26)22-12-4-5-13-22/h2-3,6-10,15-16H,4-5,11-14H2,1H3/t16-/m0/s1