N-(2-morpholin-4-ium-4-ylethyl)-3-nitro-4-[[(2R)-4-phenylbutan-2-yl]amino]benzenesulfonamide

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-3-nitro-4-[[(2R)-4-phenylbutan-2-yl]amino]benzenesulfonamide Openeye Name: 4-[[(1R)-1-methyl-3-phenyl-propyl]amino]-N-(2-morpholin-4-ium-4-ylethyl)-3-nitro-benzenesulfonamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-3-nitro-4-[[(2R)-4-phenylbutan-2-yl]amino]benzenesulfonamide IUPAC Name: N-(2-morpholin-4-ium-4-ylethyl)-3-nitro-4-[[(2R)-4-phenylbutan-2-yl]amino]benzenesulfonamide Traditional Name: 4-[[(1R)-1-methyl-3-phenyl-propyl]amino]-N-(2-morpholin-4-ium-4-ylethyl)-3-nitro-benzenesulfonamide Formula: C22H31N4O5S+ MolecularWeight: 463.57034

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NCC[NH+]3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NCC[NH+]3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H30N4O5S/c1-18(7-8-19-5-3-2-4-6-19)24-21-10-9-20(17-22(21)26(27)28)32(29,30)23-11-12-25-13-15-31-16-14-25/h2-6,9-10,17-18,23-24H,7-8,11-16H2,1H3/p+1/t18-/m1/s1