5-(4-butan-2-yloxyphenoxy)-4-[1-(4-methylphenyl)sulfonylpropylamino]-2-oxidanyl-benzaldehyde

Systemtic Name: 5-(4-butan-2-yloxyphenoxy)-4-[1-(4-methylphenyl)sulfonylpropylamino]-2-oxidanyl-benzaldehyde Openeye Name: 2-hydroxy-4-[1-(p-tolylsulfonyl)propylamino]-5-(4-sec-butoxyphenoxy)benzaldehyde CAS Name: 5-(4-butan-2-yloxyphenoxy)-2-hydroxy-4-[1-(4-methylphenyl)sulfonylpropylamino]benzaldehyde IUPAC Name: 5-(4-butan-2-yloxyphenoxy)-2-hydroxy-4-[1-(4-methylphenyl)sulfonylpropylamino]benzaldehyde Traditional Name: 2-hydroxy-5-(4-sec-butoxyphenoxy)-4-(1-tosylpropylamino)benzaldehyde Formula: C27H31NO6S MolecularWeight: 497.60314

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=C(C=C1)OC2=C(C=C(C(=C2)C=O)O)NC(CC)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(C)OC1=CC=C(C=C1)OC2=C(C=C(C(=C2)C=O)O)NC(CC)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C27H31NO6S/c1-5-19(4)33-21-9-11-22(12-10-21)34-26-15-20(17-29)25(30)16-24(26)28-27(6-2)35(31,32)23-13-7-18(3)8-14-23/h7-17,19,27-28,30H,5-6H2,1-4H3