N-tert-butyl-4-[2-(4-methyl-2-phenyl-piperazin-1-yl)ethylamino]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[2-(4-methyl-2-phenyl-piperazin-1-yl)ethylamino]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[2-(4-methyl-2-phenyl-piperazin-1-yl)ethylamino]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[2-(4-methyl-2-phenyl-1-piperazinyl)ethylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[2-(4-methyl-2-phenylpiperazin-1-yl)ethylamino]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[2-(4-methyl-2-phenyl-piperazino)ethylamino]-3-nitro-benzenesulfonamide Formula: C23H33N5O4S MolecularWeight: 475.60422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCCN2CCN(CC2C3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCCN2CCN(CC2C3=CC=CC=C3)C)[N+](=O)[O-]

InChI

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