ethyl 8-[(4-chlorophenyl)sulfonylamino]-3-(4-pyridin-3-ylbutyl)octanoate

Systemtic Name: ethyl 8-[(4-chlorophenyl)sulfonylamino]-3-(4-pyridin-3-ylbutyl)octanoate Openeye Name: ethyl 8-[(4-chlorophenyl)sulfonylamino]-3-[4-(3-pyridyl)butyl]octanoate CAS Name: 8-[(4-chlorophenyl)sulfonylamino]-3-[4-(3-pyridinyl)butyl]octanoic acid ethyl ester IUPAC Name: ethyl 8-[(4-chlorophenyl)sulfonylamino]-3-(4-pyridin-3-ylbutyl)octanoate Traditional Name: 8-[(4-chlorophenyl)sulfonylamino]-3-[4-(3-pyridyl)butyl]caprylic acid ethyl ester Formula: C25H35ClN2O4S MolecularWeight: 495.0744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CCCCCNS(=O)(=O)C1=CC=C(C=C1)Cl)CCCCC2=CN=CC=C2

Isomeric SMILES

CCOC(=O)CC(CCCCCNS(=O)(=O)C1=CC=C(C=C1)Cl)CCCCC2=CN=CC=C2

InChI

InChI=1S/C25H35ClN2O4S/c1-2-32-25(29)19-21(10-5-6-11-22-12-8-17-27-20-22)9-4-3-7-18-28-33(30,31)24-15-13-23(26)14-16-24/h8,12-17,20-21,28H,2-7,9-11,18-19H2,1H3