[4-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone

Systemtic Name: [4-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone Openeye Name: [4-(3-chloro-4-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone CAS Name: [4-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-(3-methoxyphenyl)methanone IUPAC Name: [4-(3-chloro-4-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone Traditional Name: [4-(3-chloro-4-methyl-5-nitro-phenyl)sulfonylpiperazino]-(3-methoxyphenyl)methanone Formula: C19H20ClN3O6S MolecularWeight: 453.8966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)OC)Cl

InChI

InChI=1S/C19H20ClN3O6S/c1-13-17(20)11-16(12-18(13)23(25)26)30(27,28)22-8-6-21(7-9-22)19(24)14-4-3-5-15(10-14)29-2/h3-5,10-12H,6-9H2,1-2H3