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

Systemtic Name: 4-chloranyl-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[4-methoxy-3-(4-methylpiperazino)phenyl]-3-nitro-benzenesulfonamide Formula: C18H21ClN4O5S MolecularWeight: 440.90114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN4O5S/c1-21-7-9-22(10-8-21)17-11-13(3-6-18(17)28-2)20-29(26,27)14-4-5-15(19)16(12-14)23(24)25/h3-6,11-12,20H,7-10H2,1-2H3