(3-chloranyl-1-benzothiophen-2-yl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (3-chlorobenzothiophen-2-yl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (3-chloro-1-benzothiophen-2-yl)-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (3-chloro-1-benzothiophen-2-yl)-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (3-chlorobenzothiophen-2-yl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]methanone Formula: C20H18ClN3O6S2 MolecularWeight: 495.95642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4S3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4S3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H18ClN3O6S2/c1-30-16-7-6-13(12-15(16)24(26)27)32(28,29)23-10-8-22(9-11-23)20(25)19-18(21)14-4-2-3-5-17(14)31-19/h2-7,12H,8-11H2,1H3