N-[3-(1-adamantyloxy)propyl]-4-(2,3-dimethyl-5-oxidanylidene-4-propan-2-yl-pyrazol-1-yl)benzenesulfonamide

Systemtic Name: N-[3-(1-adamantyloxy)propyl]-4-(2,3-dimethyl-5-oxidanylidene-4-propan-2-yl-pyrazol-1-yl)benzenesulfonamide Openeye Name: N-[3-(1-adamantyloxy)propyl]-4-(4-isopropyl-2,3-dimethyl-5-oxo-pyrazol-1-yl)benzenesulfonamide CAS Name: N-[3-(1-adamantyloxy)propyl]-4-(2,3-dimethyl-5-oxo-4-propan-2-yl-1-pyrazolyl)benzenesulfonamide IUPAC Name: N-[3-(1-adamantyloxy)propyl]-4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)benzenesulfonamide Traditional Name: N-[3-(1-adamantyloxy)propyl]-4-(4-isopropyl-5-keto-2,3-dimethyl-3-pyrazolin-1-yl)benzenesulfonamide Formula: C27H39N3O4S MolecularWeight: 501.68126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=C(C=C2)S(=O)(=O)NCCCOC34CC5CC(C3)CC(C5)C4)C(C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=C(C=C2)S(=O)(=O)NCCCOC34CC5CC(C3)CC(C5)C4)C(C)C

InChI

InChI=1S/C27H39N3O4S/c1-18(2)25-19(3)29(4)30(26(25)31)23-6-8-24(9-7-23)35(32,33)28-10-5-11-34-27-15-20-12-21(16-27)14-22(13-20)17-27/h6-9,18,20-22,28H,5,10-17H2,1-4H3