3-(3-chloranyl-4-methyl-phenyl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(3-chloro-4-methyl-phenyl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(3-chloro-4-methylphenyl)-1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(3-chloro-4-methylphenyl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(3-chloro-4-methyl-phenyl)-1-[4-(3-nitrophenyl)sulfonylpiperazino]propan-1-one Formula: C20H22ClN3O5S MolecularWeight: 451.92378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O5S/c1-15-5-6-16(13-19(15)21)7-8-20(25)22-9-11-23(12-10-22)30(28,29)18-4-2-3-17(14-18)24(26)27/h2-6,13-14H,7-12H2,1H3