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

Systemtic Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)methanone Openeye Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)methanone CAS Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]methanone IUPAC Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanone Traditional Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)methanone Formula: C24H29N3O4S2 MolecularWeight: 487.63476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)N4CCCSC5=CC=CC=C54

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)N4CCCSC5=CC=CC=C54

InChI

InChI=1S/C24H29N3O4S2/c28-24(27-12-5-17-32-23-7-2-1-6-22(23)27)20-18-19(8-9-21(20)25-10-3-4-11-25)33(29,30)26-13-15-31-16-14-26/h1-2,6-9,18H,3-5,10-17H2