[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxo-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-keto-ethyl] ester Formula: C25H34N2O5S MolecularWeight: 474.61286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

C[C@@H](C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C25H34N2O5S/c1-17(25-13-18-10-19(14-25)12-20(11-18)15-25)26-23(28)16-32-24(29)21-4-6-22(7-5-21)33(30,31)27-8-2-3-9-27/h4-7,17-20H,2-3,8-16H2,1H3,(H,26,28)/t17-,18?,19?,20?,25?/m0/s1