1-[4-oxidanyl-7-(phenylsulfinyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]pyrrolidin-2-one

Systemtic Name: 1-[4-oxidanyl-7-(phenylsulfinyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]pyrrolidin-2-one Openeye Name: 1-[7-(benzenesulfinyl)-4-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]pyrrolidin-2-one CAS Name: 1-[7-(benzenesulfinyl)-4-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-2-pyrrolidinone IUPAC Name: 1-[7-(benzenesulfinyl)-4-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]pyrrolidin-2-one Traditional Name: 1-[7-(benzenesulfinyl)-4-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-2-pyrrolidone Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2C(CCOC3=C2C=C(C=C3)S(=O)C4=CC=CC=C4)O

Isomeric SMILES

C1CC(=O)N(C1)C2C(CCOC3=C2C=C(C=C3)S(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C20H21NO4S/c22-17-10-12-25-18-9-8-15(26(24)14-5-2-1-3-6-14)13-16(18)20(17)21-11-4-7-19(21)23/h1-3,5-6,8-9,13,17,20,22H,4,7,10-12H2