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

Systemtic Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-4-(1-piperidylsulfonyl)benzamide CAS Name: N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-4-piperidinosulfonyl-benzamide Formula: C22H30N3O4S2+ MolecularWeight: 464.6213

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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+]4CCOCC4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCOCC4

InChI

InChI=1S/C22H29N3O4S2/c26-22(23-17-20(21-5-4-16-30-21)24-12-14-29-15-13-24)18-6-8-19(9-7-18)31(27,28)25-10-2-1-3-11-25/h4-9,16,20H,1-3,10-15,17H2,(H,23,26)/p+1/t20-/m0/s1