[2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: [2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-isopropyl-[2-(4-methyl-3-morpholinosulfonyl-anilino)-2-oxo-ethyl]ammonium CAS Name: [2-[4-methyl-3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl]-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-propan-2-ylazanium Traditional Name: benzyl-isopropyl-[2-keto-2-(4-methyl-3-morpholinosulfonyl-anilino)ethyl]ammonium Formula: C23H32N3O4S+ MolecularWeight: 446.58288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+](CC2=CC=CC=C2)C(C)C)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+](CC2=CC=CC=C2)C(C)C)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C23H31N3O4S/c1-18(2)25(16-20-7-5-4-6-8-20)17-23(27)24-21-10-9-19(3)22(15-21)31(28,29)26-11-13-30-14-12-26/h4-10,15,18H,11-14,16-17H2,1-3H3,(H,24,27)/p+1