(4-pyrrolidin-1-ylcarbonylphenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C25H30N2O5S MolecularWeight: 470.5811

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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