methyl 3-(5-chloranyl-1-naphthalen-1-ylsulfonyl-indol-2-yl)propanoate

Systemtic Name: methyl 3-(5-chloranyl-1-naphthalen-1-ylsulfonyl-indol-2-yl)propanoate Openeye Name: methyl 3-[5-chloro-1-(1-naphthylsulfonyl)indol-2-yl]propanoate CAS Name: 3-[5-chloro-1-(1-naphthalenylsulfonyl)-2-indolyl]propanoic acid methyl ester IUPAC Name: methyl 3-(5-chloro-1-naphthalen-1-ylsulfonylindol-2-yl)propanoate Traditional Name: 3-[5-chloro-1-(1-naphthylsulfonyl)indol-2-yl]propionic acid methyl ester Formula: C22H18ClNO4S MolecularWeight: 427.90062

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC2=C(N1S(=O)(=O)C3=CC=CC4=CC=CC=C43)C=CC(=C2)Cl

Isomeric SMILES

COC(=O)CCC1=CC2=C(N1S(=O)(=O)C3=CC=CC4=CC=CC=C43)C=CC(=C2)Cl

InChI

InChI=1S/C22H18ClNO4S/c1-28-22(25)12-10-18-14-16-13-17(23)9-11-20(16)24(18)29(26,27)21-8-4-6-15-5-2-3-7-19(15)21/h2-9,11,13-14H,10,12H2,1H3