N,N-diethyl-3-nitro-4-[2-(4-phenylpiperazin-1-yl)ethylamino]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-[2-(4-phenylpiperazin-1-yl)ethylamino]benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-[2-(4-phenylpiperazin-1-yl)ethylamino]benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[2-(4-phenyl-1-piperazinyl)ethylamino]benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-[2-(4-phenylpiperazin-1-yl)ethylamino]benzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-[2-(4-phenylpiperazino)ethylamino]benzenesulfonamide Formula: C22H31N5O4S MolecularWeight: 461.57764

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCCN2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCCN2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H31N5O4S/c1-3-26(4-2)32(30,31)20-10-11-21(22(18-20)27(28)29)23-12-13-24-14-16-25(17-15-24)19-8-6-5-7-9-19/h5-11,18,23H,3-4,12-17H2,1-2H3