(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonyl-furan-2-yl)methanone

Systemtic Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonyl-furan-2-yl)methanone Openeye Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonyl-2-furyl)methanone CAS Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[5-methyl-4-(1-pyrrolidinylsulfonyl)-2-furanyl]methanone IUPAC Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone Traditional Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(5-methyl-4-pyrrolidinosulfonyl-2-furyl)methanone Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC(=C(O3)C)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC(=C(O3)C)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H24N2O4S2/c1-14-9-12-22(16-7-3-4-8-18(16)27-14)20(23)17-13-19(15(2)26-17)28(24,25)21-10-5-6-11-21/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3