4-(2,3-dihydro-1H-inden-5-yloxymethyl)-3-methyl-benzoic acid; 5-methyl-N-(2-methylprop-2-enyl)furan-2-sulfonamide

Systemtic Name: 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-3-methyl-benzoic acid; 5-methyl-N-(2-methylprop-2-enyl)furan-2-sulfonamide Openeye Name: 4-(indan-5-yloxymethyl)-3-methyl-benzoic acid; 5-methyl-N-(2-methylallyl)furan-2-sulfonamide CAS Name: 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-3-methylbenzoic acid; 5-methyl-N-(2-methylprop-2-enyl)-2-furansulfonamide IUPAC Name: 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-3-methylbenzoic acid; 5-methyl-N-(2-methylprop-2-enyl)furan-2-sulfonamide Traditional Name: 4-(indan-5-yloxymethyl)-3-methyl-benzoic acid; 5-methyl-N-(2-methylallyl)furan-2-sulfonamide Formula: C27H31NO6S MolecularWeight: 497.60314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)S(=O)(=O)NCC(=C)C.CC1=C(C=CC(=C1)C(=O)O)COC2=CC3=C(CCC3)C=C2

Isomeric SMILES

CC1=CC=C(O1)S(=O)(=O)NCC(=C)C.CC1=C(C=CC(=C1)C(=O)O)COC2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C18H18O3.C9H13NO3S/c1-12-9-15(18(19)20)5-6-16(12)11-21-17-8-7-13-3-2-4-14(13)10-17;1-7(2)6-10-14(11,12)9-5-4-8(3)13-9/h5-10H,2-4,11H2,1H3,(H,19,20);4-5,10H,1,6H2,2-3H3