2-[[4-(3-chloranyl-4-methoxy-phenyl)sulfonylpiperazin-1-yl]methyl]-6-methyl-1,3-benzoxazole

Systemtic Name: 2-[[4-(3-chloranyl-4-methoxy-phenyl)sulfonylpiperazin-1-yl]methyl]-6-methyl-1,3-benzoxazole Openeye Name: 2-[[4-(3-chloro-4-methoxy-phenyl)sulfonylpiperazin-1-yl]methyl]-6-methyl-1,3-benzoxazole CAS Name: 2-[[4-(3-chloro-4-methoxyphenyl)sulfonyl-1-piperazinyl]methyl]-6-methyl-1,3-benzoxazole IUPAC Name: 2-[[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-6-methyl-1,3-benzoxazole Traditional Name: 2-[[4-(3-chloro-4-methoxy-phenyl)sulfonylpiperazino]methyl]-6-methyl-1,3-benzoxazole Formula: C20H22ClN3O4S MolecularWeight: 435.92438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(O2)CN3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)CN3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C20H22ClN3O4S/c1-14-3-5-17-19(11-14)28-20(22-17)13-23-7-9-24(10-8-23)29(25,26)15-4-6-18(27-2)16(21)12-15/h3-6,11-12H,7-10,13H2,1-2H3