4-chloranyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: 4-chloranyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: 4-chloro-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-3-morpholinosulfonyl-benzamide CAS Name: 4-chloro-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: 4-chloro-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-3-morpholin-4-ylsulfonylbenzamide Traditional Name: 4-chloro-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-3-morpholinosulfonyl-benzamide Formula: C21H27ClN3O5S2+ MolecularWeight: 501.03918

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3)C4=CC=CS4

Isomeric SMILES

C1COCC[NH+]1[C@@H](CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3)C4=CC=CS4

InChI

InChI=1S/C21H26ClN3O5S2/c22-17-4-3-16(14-20(17)32(27,28)25-7-11-30-12-8-25)21(26)23-15-18(19-2-1-13-31-19)24-5-9-29-10-6-24/h1-4,13-14,18H,5-12,15H2,(H,23,26)/p+1/t18-/m0/s1