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

Systemtic Name: 4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]butanoyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Openeye Name: 4-[(4-acetylphenyl)sulfonyl-methyl-amino]butanoyl-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium CAS Name: [4-[(4-acetylphenyl)sulfonyl-methylamino]-1-oxobutyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)ammonium IUPAC Name: 4-[(4-acetylphenyl)sulfonyl-methylamino]butanoyl-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Traditional Name: 4-[(4-acetylphenyl)sulfonyl-methyl-amino]butanoyl-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium Formula: C23H29N2O6S+ MolecularWeight: 461.55116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O6S/c1-15-13-23(28)31-21-14-18(8-11-20(15)21)24-22(27)5-4-12-25(3)32(29,30)19-9-6-17(7-10-19)16(2)26/h6-7,9-10,13,21,28H,4-5,8,11-12,14H2,1-3H3/p+1