5-[4-methoxy-3-(4-pentan-2-ylpiperazin-1-yl)sulfonyl-phenyl]-3,4-dimethyl-1,2-oxazole

Systemtic Name: 5-[4-methoxy-3-(4-pentan-2-ylpiperazin-1-yl)sulfonyl-phenyl]-3,4-dimethyl-1,2-oxazole Openeye Name: 5-[4-methoxy-3-[4-(1-methylbutyl)piperazin-1-yl]sulfonyl-phenyl]-3,4-dimethyl-isoxazole CAS Name: 5-[4-methoxy-3-[(4-pentan-2-yl-1-piperazinyl)sulfonyl]phenyl]-3,4-dimethylisoxazole IUPAC Name: 5-[4-methoxy-3-(4-pentan-2-ylpiperazin-1-yl)sulfonylphenyl]-3,4-dimethyl-1,2-oxazole Traditional Name: 5-[4-methoxy-3-[4-(1-methylbutyl)piperazino]sulfonyl-phenyl]-3,4-dimethyl-isoxazole Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C3=C(C(=NO3)C)C)OC

Isomeric SMILES

CCCC(C)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C3=C(C(=NO3)C)C)OC

InChI

InChI=1S/C21H31N3O4S/c1-6-7-15(2)23-10-12-24(13-11-23)29(25,26)20-14-18(8-9-19(20)27-5)21-16(3)17(4)22-28-21/h8-9,14-15H,6-7,10-13H2,1-5H3