N,N-diethyl-4-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methylamino]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methylamino]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]methylamino]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]methylamino]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methylamino]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[[6-(4-methylpiperazino)-3-pyridyl]methylamino]-3-nitro-benzenesulfonamide Formula: C21H30N6O4S MolecularWeight: 462.5657

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC2=CN=C(C=C2)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC2=CN=C(C=C2)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H30N6O4S/c1-4-26(5-2)32(30,31)18-7-8-19(20(14-18)27(28)29)22-15-17-6-9-21(23-16-17)25-12-10-24(3)11-13-25/h6-9,14,16,22H,4-5,10-13,15H2,1-3H3