[2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(1R)-1-phenylethyl]azanium

Systemtic Name: [2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(1R)-1-phenylethyl]azanium Openeye Name: [2-(2-methyl-5-morpholinosulfonyl-anilino)-2-oxo-ethyl]-[(1R)-1-phenylethyl]ammonium CAS Name: [2-[2-methyl-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl]-[(1R)-1-phenylethyl]ammonium IUPAC Name: [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium Traditional Name: [2-keto-2-(2-methyl-5-morpholinosulfonyl-anilino)ethyl]-[(1R)-1-phenylethyl]ammonium Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C[NH2+]C(C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C[NH2+][C@H](C)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O4S/c1-16-8-9-19(29(26,27)24-10-12-28-13-11-24)14-20(16)23-21(25)15-22-17(2)18-6-4-3-5-7-18/h3-9,14,17,22H,10-13,15H2,1-2H3,(H,23,25)/p+1/t17-/m1/s1