2-methoxy-5-nitro-N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]benzenesulfonamide

Systemtic Name: 2-methoxy-5-nitro-N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]benzenesulfonamide Openeye Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-2-methoxy-5-nitro-benzenesulfonamide CAS Name: 2-methoxy-5-nitro-N-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]benzenesulfonamide IUPAC Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-2-methoxy-5-nitrobenzenesulfonamide Traditional Name: N-[3-(4-benzylpiperazino)propyl]-2-methoxy-5-nitro-benzenesulfonamide Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCCN2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCCN2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O5S/c1-30-20-9-8-19(25(26)27)16-21(20)31(28,29)22-10-5-11-23-12-14-24(15-13-23)17-18-6-3-2-4-7-18/h2-4,6-9,16,22H,5,10-15,17H2,1H3