N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(3-thienylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-[4-(3-thiophenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-pyrrolidinosulfonylphenyl)-2-[4-(3-thenyl)piperazin-1-ium-1-yl]acetamide Formula: C21H29N4O3S2+ MolecularWeight: 449.60996

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)CC4=CSC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)CC4=CSC=C4

InChI

InChI=1S/C21H28N4O3S2/c26-21(16-24-12-10-23(11-13-24)15-18-7-14-29-17-18)22-19-3-5-20(6-4-19)30(27,28)25-8-1-2-9-25/h3-7,14,17H,1-2,8-13,15-16H2,(H,22,26)/p+1