N-(2-cyclohexylsulfanylethyl)-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-(2-cyclohexylsulfanylethyl)-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-benzylsulfonyl-N-(2-cyclohexylsulfanylethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[2-(cyclohexylthio)ethyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-benzylsulfonyl-N-(2-cyclohexylsulfanylethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-benzylsulfonyl-N-[2-(cyclohexylthio)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C24H30N2O4S2 MolecularWeight: 474.636

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCCNC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)SCCNC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H30N2O4S2/c27-24(25-15-16-31-20-11-5-2-6-12-20)23-17-26(21-13-7-8-14-22(21)30-23)32(28,29)18-19-9-3-1-4-10-19/h1,3-4,7-10,13-14,20,23H,2,5-6,11-12,15-18H2,(H,25,27)