1-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonyl-4-(phenylmethyl)piperazine

Systemtic Name: 1-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonyl-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-(3-chloro-4-methyl-5-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-4-(phenylmethyl)piperazine IUPAC Name: 1-benzyl-4-(3-chloro-4-methyl-5-nitrophenyl)sulfonylpiperazine Traditional Name: 1-benzyl-4-(3-chloro-4-methyl-5-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[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3)Cl

Isomeric SMILES

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

InChI

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