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

Systemtic Name: 6-chloranyl-3-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazole-2-thione Openeye Name: 6-chloro-3-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazole-2-thione CAS Name: 6-chloro-3-[[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 6-chloro-3-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazole-2-thione Traditional Name: 6-chloro-3-[(4-nosylpiperazino)methyl]-1,3-benzoxazole-2-thione Formula: C18H17ClN4O5S2 MolecularWeight: 468.93438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C3=C(C=C(C=C3)Cl)OC2=S)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CN2C3=C(C=C(C=C3)Cl)OC2=S)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN4O5S2/c19-13-1-6-16-17(11-13)28-18(29)22(16)12-20-7-9-21(10-8-20)30(26,27)15-4-2-14(3-5-15)23(24)25/h1-6,11H,7-10,12H2