1-[(2-methoxy-5-nitro-phenyl)methyl]-4-(phenylsulfonyl)piperazine

Systemtic Name: 1-[(2-methoxy-5-nitro-phenyl)methyl]-4-(phenylsulfonyl)piperazine Openeye Name: 1-(benzenesulfonyl)-4-[(2-methoxy-5-nitro-phenyl)methyl]piperazine CAS Name: 1-(benzenesulfonyl)-4-[(2-methoxy-5-nitrophenyl)methyl]piperazine IUPAC Name: 1-(benzenesulfonyl)-4-[(2-methoxy-5-nitrophenyl)methyl]piperazine Traditional Name: 1-besyl-4-(2-methoxy-5-nitro-benzyl)piperazine Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

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