[(2S)-3-[(4-methylphenyl)-naphthalen-2-ylsulfonyl-amino]-2-oxidanyl-propyl]-bis(prop-2-enyl)azanium

Systemtic Name: [(2S)-3-[(4-methylphenyl)-naphthalen-2-ylsulfonyl-amino]-2-oxidanyl-propyl]-bis(prop-2-enyl)azanium Openeye Name: diallyl-[(2S)-2-hydroxy-3-[4-methyl-N-(2-naphthylsulfonyl)anilino]propyl]ammonium CAS Name: [(2S)-2-hydroxy-3-[4-methyl-N-(2-naphthalenylsulfonyl)anilino]propyl]-bis(prop-2-enyl)ammonium IUPAC Name: [(2S)-2-hydroxy-3-(4-methyl-N-naphthalen-2-ylsulfonylanilino)propyl]-bis(prop-2-enyl)azanium Traditional Name: diallyl-[(2S)-2-hydroxy-3-[4-methyl-N-(2-naphthylsulfonyl)anilino]propyl]ammonium Formula: C26H31N2O3S+ MolecularWeight: 451.60094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(C[NH+](CC=C)CC=C)O)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=CC=C(C=C1)N(C[C@H](C[NH+](CC=C)CC=C)O)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C26H30N2O3S/c1-4-16-27(17-5-2)19-25(29)20-28(24-13-10-21(3)11-14-24)32(30,31)26-15-12-22-8-6-7-9-23(22)18-26/h4-15,18,25,29H,1-2,16-17,19-20H2,3H3/p+1/t25-/m0/s1