[(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [(1R)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid [(1R)-2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H32N2O6S MolecularWeight: 452.56428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC3

Isomeric SMILES

C[C@H](C(=O)NC1CCCCCC1)OC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H32N2O6S/c1-16(21(25)23-18-9-5-3-4-6-10-18)30-22(26)17-11-12-19(29-2)20(15-17)31(27,28)24-13-7-8-14-24/h11-12,15-16,18H,3-10,13-14H2,1-2H3,(H,23,25)/t16-/m1/s1