(4-pyrrolidin-1-ylcarbonylphenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C25H30N2O5S/c28-24(26-15-5-6-16-26)21-9-7-20(8-10-21)19-32-25(29)22-11-13-23(14-12-22)33(30,31)27-17-3-1-2-4-18-27/h7-14H,1-6,15-19H2