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methyl 3-[7-(phenylsulfonylamino)heptyl]azulene-1-carboxylate

methyl 3-[7-(phenylsulfonylamino)heptyl]azulene-1-carboxylate

Systemtic Name:methyl 3-[7-(phenylsulfonylamino)heptyl]azulene-1-carboxylate
Openeye Name:methyl 3-[7-(benzenesulfonamido)heptyl]azulene-1-carboxylate
CAS Name:3-[7-(benzenesulfonamido)heptyl]-1-azulenecarboxylic acid methyl ester
IUPAC Name:methyl 3-[7-(benzenesulfonamido)heptyl]azulene-1-carboxylate
Traditional Name:3-[7-(benzenesulfonamido)heptyl]azulene-1-carboxylic acid methyl ester
Formula: C25H29NO4S
MolecularWeight: 439.56706
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C2C1=CC=CC=C2)CCCCCCCNS(=O)(=O)C3=CC=CC=C3


Isomeric SMILES

COC(=O)C1=CC(=C2C1=CC=CC=C2)CCCCCCCNS(=O)(=O)C3=CC=CC=C3


InChI

InChI=1S/C25H29NO4S/c1-30-25(27)24-19-20(22-16-10-6-11-17-23(22)24)13-7-3-2-4-12-18-26-31(28,29)21-14-8-5-9-15-21/h5-6,8-11,14-17,19,26H,2-4,7,12-13,18H2,1H3


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