ethyl 4-[4-[2-[(4-chlorophenyl)sulfonyl-methyl-amino]ethyl]phenyl]butanoate

Systemtic Name: ethyl 4-[4-[2-[(4-chlorophenyl)sulfonyl-methyl-amino]ethyl]phenyl]butanoate Openeye Name: ethyl 4-[4-[2-[(4-chlorophenyl)sulfonyl-methyl-amino]ethyl]phenyl]butanoate CAS Name: 4-[4-[2-[(4-chlorophenyl)sulfonyl-methylamino]ethyl]phenyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-[(4-chlorophenyl)sulfonyl-methylamino]ethyl]phenyl]butanoate Traditional Name: 4-[4-[2-[(4-chlorophenyl)sulfonyl-methyl-amino]ethyl]phenyl]butyric acid ethyl ester Formula: C21H26ClNO4S MolecularWeight: 423.95344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC1=CC=C(C=C1)CCN(C)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)CCCC1=CC=C(C=C1)CCN(C)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H26ClNO4S/c1-3-27-21(24)6-4-5-17-7-9-18(10-8-17)15-16-23(2)28(25,26)20-13-11-19(22)12-14-20/h7-14H,3-6,15-16H2,1-2H3