N-(3-bromophenyl)-N-[[(3S,4S)-8-methoxy-2,2-dimethyl-3-oxidanyl-4-phenylsulfanyl-3,4-dihydrochromen-7-yl]methyl]benzamide

Systemtic Name: N-(3-bromophenyl)-N-[[(3S,4S)-8-methoxy-2,2-dimethyl-3-oxidanyl-4-phenylsulfanyl-3,4-dihydrochromen-7-yl]methyl]benzamide Openeye Name: N-(3-bromophenyl)-N-[[(3S,4S)-3-hydroxy-8-methoxy-2,2-dimethyl-4-phenylsulfanyl-chroman-7-yl]methyl]benzamide CAS Name: N-(3-bromophenyl)-N-[[(3S,4S)-3-hydroxy-8-methoxy-2,2-dimethyl-4-(phenylthio)-3,4-dihydro-2H-1-benzopyran-7-yl]methyl]benzamide IUPAC Name: N-(3-bromophenyl)-N-[[(3S,4S)-3-hydroxy-8-methoxy-2,2-dimethyl-4-phenylsulfanyl-3,4-dihydrochromen-7-yl]methyl]benzamide Traditional Name: N-(3-bromophenyl)-N-[[(3S,4S)-3-hydroxy-8-methoxy-2,2-dimethyl-4-(phenylthio)chroman-7-yl]methyl]benzamide Formula: C32H30BrNO4S MolecularWeight: 604.5539

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C(=C(C=C2)CN(C3=CC(=CC=C3)Br)C(=O)C4=CC=CC=C4)OC)SC5=CC=CC=C5)O)C

Isomeric SMILES

CC1([C@@H]([C@H](C2=C(O1)C(=C(C=C2)CN(C3=CC(=CC=C3)Br)C(=O)C4=CC=CC=C4)OC)SC5=CC=CC=C5)O)C

InChI

InChI=1S/C32H30BrNO4S/c1-32(2)30(35)29(39-25-15-8-5-9-16-25)26-18-17-22(27(37-3)28(26)38-32)20-34(24-14-10-13-23(33)19-24)31(36)21-11-6-4-7-12-21/h4-19,29-30,35H,20H2,1-3H3/t29-,30+/m0/s1