(2S)-2-(1-adamantylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: (2S)-2-(1-adamantylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2S)-2-(1-adamantylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: (2S)-2-(1-adamantylamino)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: (2S)-2-(1-adamantylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2S)-2-(1-adamantylamino)-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C23H33N3O3S MolecularWeight: 431.59142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H33N3O3S/c1-16(25-23-13-17-10-18(14-23)12-19(11-17)15-23)22(27)24-20-4-6-21(7-5-20)30(28,29)26-8-2-3-9-26/h4-7,16-19,25H,2-3,8-15H2,1H3,(H,24,27)/t16-,17?,18?,19?,23?/m0/s1