1-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)phenyl]pyrrolidin-2-one

Systemtic Name: 1-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)phenyl]pyrrolidin-2-one Openeye Name: 1-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)phenyl]pyrrolidin-2-one CAS Name: 1-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)phenyl]-2-pyrrolidinone IUPAC Name: 1-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)phenyl]pyrrolidin-2-one Traditional Name: 1-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)phenyl]-2-pyrrolidone Formula: C19H20N2O3S2 MolecularWeight: 388.5037

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)N3CCCSC4=CC=CC=C43

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)N3CCCSC4=CC=CC=C43

InChI

InChI=1S/C19H20N2O3S2/c22-19-7-3-12-20(19)15-8-10-16(11-9-15)26(23,24)21-13-4-14-25-18-6-2-1-5-17(18)21/h1-2,5-6,8-11H,3-4,7,12-14H2