N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-methoxy-3-(4-methylpiperazino)phenyl]-3-nitro-benzenesulfonamide Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CN1CCN(CC1)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H22N4O5S/c1-20-8-10-21(11-9-20)17-12-14(6-7-18(17)27-2)19-28(25,26)16-5-3-4-15(13-16)22(23)24/h3-7,12-13,19H,8-11H2,1-2H3