1-(3-methoxy-4-nitro-phenyl)-4-(phenylmethyl)sulfonyl-piperazine

Systemtic Name: 1-(3-methoxy-4-nitro-phenyl)-4-(phenylmethyl)sulfonyl-piperazine Openeye Name: 1-benzylsulfonyl-4-(3-methoxy-4-nitro-phenyl)piperazine CAS Name: 1-(3-methoxy-4-nitrophenyl)-4-(phenylmethyl)sulfonylpiperazine IUPAC Name: 1-benzylsulfonyl-4-(3-methoxy-4-nitrophenyl)piperazine Traditional Name: 1-benzylsulfonyl-4-(3-methoxy-4-nitro-phenyl)piperazine Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5S/c1-26-18-13-16(7-8-17(18)21(22)23)19-9-11-20(12-10-19)27(24,25)14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3