(4-tert-butylcyclohexyl) 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (4-tert-butylcyclohexyl) 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (4-tert-butylcyclohexyl) 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid (4-tert-butylcyclohexyl) ester IUPAC Name: (4-tert-butylcyclohexyl) 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid (4-tert-butylcyclohexyl) ester Formula: C21H31NO4S MolecularWeight: 393.54014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C)(C)C1CCC(CC1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H31NO4S/c1-21(2,3)17-9-11-18(12-10-17)26-20(23)16-7-6-8-19(15-16)27(24,25)22-13-4-5-14-22/h6-8,15,17-18H,4-5,9-14H2,1-3H3