N-[2-(4-chlorophenyl)sulfanylethyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylethyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-benzylsulfonyl-N-[2-(4-chlorophenyl)sulfanylethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[2-[(4-chlorophenyl)thio]ethyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-benzylsulfonyl-N-[2-(4-chlorophenyl)sulfanylethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-benzylsulfonyl-N-[2-[(4-chlorophenyl)thio]ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C24H23ClN2O4S2 MolecularWeight: 503.03342

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2N1S(=O)(=O)CC3=CC=CC=C3)C(=O)NCCSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1C(OC2=CC=CC=C2N1S(=O)(=O)CC3=CC=CC=C3)C(=O)NCCSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H23ClN2O4S2/c25-19-10-12-20(13-11-19)32-15-14-26-24(28)23-16-27(21-8-4-5-9-22(21)31-23)33(29,30)17-18-6-2-1-3-7-18/h1-13,23H,14-17H2,(H,26,28)