N-(2-morpholin-4-ium-4-ylethyl)-2-[phenylsulfonyl-(4-propan-2-ylphenyl)amino]ethanamide

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-2-[phenylsulfonyl-(4-propan-2-ylphenyl)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-4-isopropyl-anilino]-N-(2-morpholin-4-ium-4-ylethyl)acetamide CAS Name: 2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[2-(4-morpholin-4-iumyl)ethyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-(2-morpholin-4-ium-4-ylethyl)acetamide Traditional Name: 2-(N-besyl-4-isopropyl-anilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide Formula: C23H32N3O4S+ MolecularWeight: 446.58288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N(CC(=O)NCC[NH+]2CCOCC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N(CC(=O)NCC[NH+]2CCOCC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H31N3O4S/c1-19(2)20-8-10-21(11-9-20)26(31(28,29)22-6-4-3-5-7-22)18-23(27)24-12-13-25-14-16-30-17-15-25/h3-11,19H,12-18H2,1-2H3,(H,24,27)/p+1