[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxidanylidene-ethyl]-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: [2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxidanylidene-ethyl]-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-isopropyl-[2-[(4-morpholinosulfonylphenyl)methylamino]-2-oxo-ethyl]ammonium CAS Name: [2-[[4-(4-morpholinylsulfonyl)phenyl]methylamino]-2-oxoethyl]-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxoethyl]-propan-2-ylazanium Traditional Name: benzyl-isopropyl-[2-keto-2-[(4-morpholinosulfonylbenzyl)amino]ethyl]ammonium Formula: C23H32N3O4S+ MolecularWeight: 446.58288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC1=CC=CC=C1)CC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C)[NH+](CC1=CC=CC=C1)CC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

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