4-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-[[4-[(4-ethyl-1-piperazinyl)methyl]phenyl]methylamino]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-[[4-[(4-ethylpiperazino)methyl]benzyl]amino]-N-isopropyl-3-nitro-benzenesulfonamide Formula: C23H33N5O4S MolecularWeight: 475.60422

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=CC=C(C=C2)CNC3=C(C=C(C=C3)S(=O)(=O)NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)CC2=CC=C(C=C2)CNC3=C(C=C(C=C3)S(=O)(=O)NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H33N5O4S/c1-4-26-11-13-27(14-12-26)17-20-7-5-19(6-8-20)16-24-22-10-9-21(15-23(22)28(29)30)33(31,32)25-18(2)3/h5-10,15,18,24-25H,4,11-14,16-17H2,1-3H3