N-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]-4-(prop-2-enylsulfamoyl)benzamide

Systemtic Name: N-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]-4-(prop-2-enylsulfamoyl)benzamide Openeye Name: 4-(allylsulfamoyl)-N-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]benzamide CAS Name: N-[2-[(3S)-3-methyl-1-piperidin-1-iumyl]ethyl]-4-(prop-2-enylsulfamoyl)benzamide IUPAC Name: N-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]-4-(prop-2-enylsulfamoyl)benzamide Traditional Name: 4-(allylsulfamoyl)-N-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]benzamide Formula: C18H28N3O3S+ MolecularWeight: 366.49822

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCNC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC=C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCNC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC=C

InChI

InChI=1S/C18H27N3O3S/c1-3-10-20-25(23,24)17-8-6-16(7-9-17)18(22)19-11-13-21-12-4-5-15(2)14-21/h3,6-9,15,20H,1,4-5,10-14H2,2H3,(H,19,22)/p+1/t15-/m0/s1