[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinyl]-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-4-yl]-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]-[4-(2-thenyl)piperazin-4-ium-1-yl]methanone Formula: C22H29N4O5S2+ MolecularWeight: 493.61946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)N3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)N3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C22H28N4O5S2/c1-17-4-5-19(26(28)29)15-21(17)33(30,31)25-8-6-18(7-9-25)22(27)24-12-10-23(11-13-24)16-20-3-2-14-32-20/h2-5,14-15,18H,6-13,16H2,1H3/p+1