methyl 4-[4-[[(4-chlorophenyl)sulfonylamino]-cycloheptyl-methyl]phenyl]butanoate

Systemtic Name: methyl 4-[4-[[(4-chlorophenyl)sulfonylamino]-cycloheptyl-methyl]phenyl]butanoate Openeye Name: methyl 4-[4-[[(4-chlorophenyl)sulfonylamino]-cycloheptyl-methyl]phenyl]butanoate CAS Name: 4-[4-[[(4-chlorophenyl)sulfonylamino]-cycloheptylmethyl]phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-[[(4-chlorophenyl)sulfonylamino]-cycloheptylmethyl]phenyl]butanoate Traditional Name: 4-[4-[[(4-chlorophenyl)sulfonylamino]-cycloheptyl-methyl]phenyl]butyric acid methyl ester Formula: C25H32ClNO4S MolecularWeight: 478.04388

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=CC=C(C=C1)C(C2CCCCCC2)NS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)CCCC1=CC=C(C=C1)C(C2CCCCCC2)NS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H32ClNO4S/c1-31-24(28)10-6-7-19-11-13-21(14-12-19)25(20-8-4-2-3-5-9-20)27-32(29,30)23-17-15-22(26)16-18-23/h11-18,20,25,27H,2-10H2,1H3