[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone

Systemtic Name: [4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone Openeye Name: [4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone CAS Name: [4-(4-nitrophenyl)sulfonyl-1-piperazinyl]-[4-(1-piperidin-1-iumylmethyl)phenyl]methanone IUPAC Name: [4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone Traditional Name: (4-nosylpiperazino)-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone Formula: C23H29N4O5S+ MolecularWeight: 473.56516

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O5S/c28-23(20-6-4-19(5-7-20)18-24-12-2-1-3-13-24)25-14-16-26(17-15-25)33(31,32)22-10-8-21(9-11-22)27(29)30/h4-11H,1-3,12-18H2/p+1