2-[(4-ethanoylphenyl)sulfonyl-methyl-amino]ethanoyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium

Systemtic Name: 2-[(4-ethanoylphenyl)sulfonyl-methyl-amino]ethanoyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Openeye Name: [2-[(4-acetylphenyl)sulfonyl-methyl-amino]acetyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium CAS Name: [2-[(4-acetylphenyl)sulfonyl-methylamino]-1-oxoethyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)ammonium IUPAC Name: [2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Traditional Name: [2-[(4-acetylphenyl)sulfonyl-methyl-amino]acetyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium Formula: C21H25N2O6S+ MolecularWeight: 433.498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=[NH+]C(=O)CN(C)S(=O)(=O)C3=CC=C(C=C3)C(=O)C)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=[NH+]C(=O)CN(C)S(=O)(=O)C3=CC=C(C=C3)C(=O)C)CC2OC(=C1)O

InChI

InChI=1S/C21H24N2O6S/c1-13-10-21(26)29-19-11-16(6-9-18(13)19)22-20(25)12-23(3)30(27,28)17-7-4-15(5-8-17)14(2)24/h4-5,7-8,10,19,26H,6,9,11-12H2,1-3H3/p+1