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

Systemtic Name: [4-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-phenyl-methanone Openeye Name: [4-(3-chloro-4-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-phenyl-methanone CAS Name: [4-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-phenylmethanone IUPAC Name: [4-(3-chloro-4-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-phenylmethanone Traditional Name: [4-(3-chloro-4-methyl-5-nitro-phenyl)sulfonylpiperazino]-phenyl-methanone Formula: C18H18ClN3O5S MolecularWeight: 423.87062

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O5S/c1-13-16(19)11-15(12-17(13)22(24)25)28(26,27)21-9-7-20(8-10-21)18(23)14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3