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methyl 2-[4-[2-[(3-methyl-7-propan-2-yl-azulen-1-yl)sulfonylamino]ethyl]phenoxy]ethanoate
methyl 2-[4-[2-[(3-methyl-7-propan-2-yl-azulen-1-yl)sulfonylamino]ethyl]phenoxy]ethanoate
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Descriptors Computed from Structure
Canonical SMILES:
CC1=C2C=CC=C(C=C2C(=C1)S(=O)(=O)NCCC3=CC=C(C=C3)OCC(=O)OC)C(C)C
Isomeric SMILES
CC1=C2C=CC=C(C=C2C(=C1)S(=O)(=O)NCCC3=CC=C(C=C3)OCC(=O)OC)C(C)C
InChI
InChI=1S/C25H29NO5S/c1-17(2)20-6-5-7-22-18(3)14-24(23(22)15-20)32(28,29)26-13-12-19-8-10-21(11-9-19)31-16-25(27)30-4/h5-11,14-15,17,26H,12-13,16H2,1-4H3
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