4-piperidin-1-ylsulfonyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]benzamide

Systemtic Name: 4-piperidin-1-ylsulfonyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]benzamide Openeye Name: 4-(1-piperidylsulfonyl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]benzamide CAS Name: 4-(1-piperidinylsulfonyl)-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 4-piperidin-1-ylsulfonyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]benzamide Traditional Name: 4-piperidinosulfonyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]benzamide Formula: C22H30N3O3S2+ MolecularWeight: 448.6219

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(C3=CC=CS3)[NH+]4CCCC4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCCC4

InChI

InChI=1S/C22H29N3O3S2/c26-22(23-17-20(21-7-6-16-29-21)24-12-4-5-13-24)18-8-10-19(11-9-18)30(27,28)25-14-2-1-3-15-25/h6-11,16,20H,1-5,12-15,17H2,(H,23,26)/p+1/t20-/m0/s1