2-[(3-bromophenyl)-(phenylsulfonyl)amino]-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide

Systemtic Name: 2-[(3-bromophenyl)-(phenylsulfonyl)amino]-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-3-bromo-anilino]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide CAS Name: 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[3-(4-morpholin-4-iumyl)propyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Traditional Name: 2-(N-besyl-3-bromo-anilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Formula: C21H27BrN3O4S+ MolecularWeight: 497.42578

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26BrN3O4S/c22-18-6-4-7-19(16-18)25(30(27,28)20-8-2-1-3-9-20)17-21(26)23-10-5-11-24-12-14-29-15-13-24/h1-4,6-9,16H,5,10-15,17H2,(H,23,26)/p+1