1-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-3-(2-methoxy-4-prop-2-enyl-phenoxy)propan-2-ol

Systemtic Name: 1-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-3-(2-methoxy-4-prop-2-enyl-phenoxy)propan-2-ol Openeye Name: 1-(4-allyl-2-methoxy-phenoxy)-3-(4-indolin-1-ylsulfonyl-3,5-dimethyl-pyrazol-1-yl)propan-2-ol CAS Name: 1-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethyl-1-pyrazolyl]-3-(2-methoxy-4-prop-2-enylphenoxy)-2-propanol IUPAC Name: 1-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-3-(2-methoxy-4-prop-2-enylphenoxy)propan-2-ol Traditional Name: 1-(4-allyl-2-methoxy-phenoxy)-3-(4-indolin-1-ylsulfonyl-3,5-dimethyl-pyrazol-1-yl)propan-2-ol Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(COC2=C(C=C(C=C2)CC=C)OC)O)C)S(=O)(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

CC1=C(C(=NN1CC(COC2=C(C=C(C=C2)CC=C)OC)O)C)S(=O)(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C26H31N3O5S/c1-5-8-20-11-12-24(25(15-20)33-4)34-17-22(30)16-28-19(3)26(18(2)27-28)35(31,32)29-14-13-21-9-6-7-10-23(21)29/h5-7,9-12,15,22,30H,1,8,13-14,16-17H2,2-4H3