[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [(2S)-1-(4-methoxyphenyl)sulfonyl-2-pyrrolidinyl]-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C21H28N3O4S2+ MolecularWeight: 450.59472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N3CC[NH+](CC3)CC4=CSC=C4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)N3CC[NH+](CC3)CC4=CSC=C4

InChI

InChI=1S/C21H27N3O4S2/c1-28-18-4-6-19(7-5-18)30(26,27)24-9-2-3-20(24)21(25)23-12-10-22(11-13-23)15-17-8-14-29-16-17/h4-8,14,16,20H,2-3,9-13,15H2,1H3/p+1/t20-/m0/s1