4-chloranyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: 4-chloranyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: 4-chloro-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3-morpholinosulfonyl-benzamide CAS Name: 4-chloro-N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: 4-chloro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3-morpholin-4-ylsulfonylbenzamide Traditional Name: 4-chloro-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3-morpholinosulfonyl-benzamide Formula: C22H29ClN3O5S+ MolecularWeight: 483.00076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3)C4=CC=CO4

InChI

InChI=1S/C22H28ClN3O5S/c23-18-7-6-17(15-21(18)32(28,29)26-10-13-30-14-11-26)22(27)24-16-19(20-5-4-12-31-20)25-8-2-1-3-9-25/h4-7,12,15,19H,1-3,8-11,13-14,16H2,(H,24,27)/p+1/t19-/m0/s1