1-[(3-chlorophenyl)methyl]-4-(4-methyl-3-nitro-phenyl)sulfonyl-piperazine

Systemtic Name: 1-[(3-chlorophenyl)methyl]-4-(4-methyl-3-nitro-phenyl)sulfonyl-piperazine Openeye Name: 1-[(3-chlorophenyl)methyl]-4-(4-methyl-3-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-[(3-chlorophenyl)methyl]-4-(4-methyl-3-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[(3-chlorophenyl)methyl]-4-(4-methyl-3-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(3-chlorobenzyl)-4-(4-methyl-3-nitro-phenyl)sulfonyl-piperazine Formula: C18H20ClN3O4S MolecularWeight: 409.8871

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H20ClN3O4S/c1-14-5-6-17(12-18(14)22(23)24)27(25,26)21-9-7-20(8-10-21)13-15-3-2-4-16(19)11-15/h2-6,11-12H,7-10,13H2,1H3