N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-3-nitro-benzamide

Systemtic Name: N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-3-nitro-benzamide Openeye Name: N-[2-(4-methylpiperazin-1-yl)-5-(1-piperidylsulfonyl)phenyl]-3-nitro-benzamide CAS Name: N-[2-(4-methyl-1-piperazinyl)-5-(1-piperidinylsulfonyl)phenyl]-3-nitrobenzamide IUPAC Name: N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-nitrobenzamide Traditional Name: N-[2-(4-methylpiperazino)-5-piperidinosulfonyl-phenyl]-3-nitro-benzamide Formula: C23H29N5O5S MolecularWeight: 487.57186

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H29N5O5S/c1-25-12-14-26(15-13-25)22-9-8-20(34(32,33)27-10-3-2-4-11-27)17-21(22)24-23(29)18-6-5-7-19(16-18)28(30)31/h5-9,16-17H,2-4,10-15H2,1H3,(H,24,29)