(2S)-2-(azocan-1-ium-1-yl)-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)propanamide

Systemtic Name: (2S)-2-(azocan-1-ium-1-yl)-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)propanamide Openeye Name: (2S)-2-(azocan-1-ium-1-yl)-N-(4-methyl-3-morpholinosulfonyl-phenyl)propanamide CAS Name: (2S)-2-(1-azocan-1-iumyl)-N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: (2S)-2-(azocan-1-ium-1-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: (2S)-2-(azocan-1-ium-1-yl)-N-(4-methyl-3-morpholinosulfonyl-phenyl)propionamide Formula: C21H34N3O4S+ MolecularWeight: 424.57736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)[NH+]2CCCCCCC2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)[NH+]2CCCCCCC2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H33N3O4S/c1-17-8-9-19(16-20(17)29(26,27)24-12-14-28-15-13-24)22-21(25)18(2)23-10-6-4-3-5-7-11-23/h8-9,16,18H,3-7,10-15H2,1-2H3,(H,22,25)/p+1/t18-/m0/s1