N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-4-(1-piperidin-1-iumylmethyl)benzamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Formula: C22H29N4O5S+ MolecularWeight: 461.55446

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O5S/c1-32(30,31)19-9-10-20(21(15-19)26(28)29)23-11-12-24-22(27)18-7-5-17(6-8-18)16-25-13-3-2-4-14-25/h5-10,15,23H,2-4,11-14,16H2,1H3,(H,24,27)/p+1