4-methyl-3-nitro-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide

Systemtic Name: 4-methyl-3-nitro-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide Openeye Name: 4-methyl-3-nitro-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide CAS Name: 4-methyl-3-nitro-N-[3-[(4-phenyl-1-piperazinyl)sulfonyl]propyl]benzamide IUPAC Name: 4-methyl-3-nitro-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide Traditional Name: 4-methyl-3-nitro-N-[3-(4-phenylpiperazino)sulfonylpropyl]benzamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O5S/c1-17-8-9-18(16-20(17)25(27)28)21(26)22-10-5-15-31(29,30)24-13-11-23(12-14-24)19-6-3-2-4-7-19/h2-4,6-9,16H,5,10-15H2,1H3,(H,22,26)