N-[[(2S)-1-methylpiperidin-1-ium-2-yl]methyl]-3-(4-methylthiophen-2-yl)-5-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[[(2S)-1-methylpiperidin-1-ium-2-yl]methyl]-3-(4-methylthiophen-2-yl)-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[[(2S)-1-methylpiperidin-1-ium-2-yl]methyl]-3-(4-methyl-2-thienyl)-5-morpholinosulfonyl-benzamide CAS Name: N-[[(2S)-1-methyl-2-piperidin-1-iumyl]methyl]-3-(4-methyl-2-thiophenyl)-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[[(2S)-1-methylpiperidin-1-ium-2-yl]methyl]-3-(4-methylthiophen-2-yl)-5-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[[(2S)-1-methylpiperidin-1-ium-2-yl]methyl]-3-(4-methyl-2-thienyl)-5-morpholinosulfonyl-benzamide Formula: C23H32N3O4S2+ MolecularWeight: 478.64788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C2=CC(=CC(=C2)S(=O)(=O)N3CCOCC3)C(=O)NCC4CCCC[NH+]4C

Isomeric SMILES

CC1=CSC(=C1)C2=CC(=CC(=C2)S(=O)(=O)N3CCOCC3)C(=O)NC[C@@H]4CCCC[NH+]4C

InChI

InChI=1S/C23H31N3O4S2/c1-17-11-22(31-16-17)18-12-19(23(27)24-15-20-5-3-4-6-25(20)2)14-21(13-18)32(28,29)26-7-9-30-10-8-26/h11-14,16,20H,3-10,15H2,1-2H3,(H,24,27)/p+1/t20-/m0/s1