5-[3-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-phenyl]-3-methyl-1,2-oxazole

Systemtic Name: 5-[3-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-phenyl]-3-methyl-1,2-oxazole Openeye Name: 5-[3-methoxy-4-[[4-(1-piperidyl)-1-piperidyl]sulfonyl]phenyl]-3-methyl-isoxazole CAS Name: 5-[3-methoxy-4-[[4-(1-piperidinyl)-1-piperidinyl]sulfonyl]phenyl]-3-methylisoxazole IUPAC Name: 5-[3-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylphenyl]-3-methyl-1,2-oxazole Traditional Name: 5-[3-methoxy-4-(4-piperidinopiperidino)sulfonyl-phenyl]-3-methyl-isoxazole Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C2=CC(=C(C=C2)S(=O)(=O)N3CCC(CC3)N4CCCCC4)OC

Isomeric SMILES

CC1=NOC(=C1)C2=CC(=C(C=C2)S(=O)(=O)N3CCC(CC3)N4CCCCC4)OC

InChI

InChI=1S/C21H29N3O4S/c1-16-14-19(28-22-16)17-6-7-21(20(15-17)27-2)29(25,26)24-12-8-18(9-13-24)23-10-4-3-5-11-23/h6-7,14-15,18H,3-5,8-13H2,1-2H3