[4-[butanoyl-(4-methylphenyl)sulfonyl-amino]-2-chloranyl-naphthalen-1-yl] butanoate

Systemtic Name: [4-[butanoyl-(4-methylphenyl)sulfonyl-amino]-2-chloranyl-naphthalen-1-yl] butanoate Openeye Name: [4-[butanoyl(p-tolylsulfonyl)amino]-2-chloro-1-naphthyl] butanoate CAS Name: butanoic acid [2-chloro-4-[(4-methylphenyl)sulfonyl-(1-oxobutyl)amino]-1-naphthalenyl] ester IUPAC Name: [4-[butanoyl-(4-methylphenyl)sulfonylamino]-2-chloronaphthalen-1-yl] butanoate Traditional Name: butyric acid [4-[butyryl(tosyl)amino]-2-chloro-1-naphthyl] ester Formula: C25H26ClNO5S MolecularWeight: 487.99564

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(C1=CC(=C(C2=CC=CC=C21)OC(=O)CCC)Cl)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCC(=O)N(C1=CC(=C(C2=CC=CC=C21)OC(=O)CCC)Cl)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H26ClNO5S/c1-4-8-23(28)27(33(30,31)18-14-12-17(3)13-15-18)22-16-21(26)25(32-24(29)9-5-2)20-11-7-6-10-19(20)22/h6-7,10-16H,4-5,8-9H2,1-3H3