4-[(4-methylphenyl)-methylsulfonyl-amino]-N-(2-morpholin-4-ium-4-ylethyl)butanamide

Systemtic Name: 4-[(4-methylphenyl)-methylsulfonyl-amino]-N-(2-morpholin-4-ium-4-ylethyl)butanamide Openeye Name: 4-(4-methyl-N-methylsulfonyl-anilino)-N-(2-morpholin-4-ium-4-ylethyl)butanamide CAS Name: 4-(4-methyl-N-methylsulfonylanilino)-N-[2-(4-morpholin-4-iumyl)ethyl]butanamide IUPAC Name: 4-(4-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)butanamide Traditional Name: 4-(N-mesyl-4-methyl-anilino)-N-(2-morpholin-4-ium-4-ylethyl)butyramide Formula: C18H30N3O4S+ MolecularWeight: 384.5135

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCCC(=O)NCC[NH+]2CCOCC2)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N(CCCC(=O)NCC[NH+]2CCOCC2)S(=O)(=O)C

InChI

InChI=1S/C18H29N3O4S/c1-16-5-7-17(8-6-16)21(26(2,23)24)10-3-4-18(22)19-9-11-20-12-14-25-15-13-20/h5-8H,3-4,9-15H2,1-2H3,(H,19,22)/p+1