(2S)-2-[[(1S,2S)-2-methylcyclohexyl]amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: (2S)-2-[[(1S,2S)-2-methylcyclohexyl]amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2S)-2-[[(1S,2S)-2-methylcyclohexyl]amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: (2S)-2-[[(1S,2S)-2-methylcyclohexyl]amino]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: (2S)-2-[[(1S,2S)-2-methylcyclohexyl]amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2S)-2-[[(1S,2S)-2-methylcyclohexyl]amino]-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C20H31N3O3S MolecularWeight: 393.54344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C[C@H]1CCCC[C@@H]1N[C@@H](C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H31N3O3S/c1-15-7-3-4-8-19(15)21-16(2)20(24)22-17-9-11-18(12-10-17)27(25,26)23-13-5-6-14-23/h9-12,15-16,19,21H,3-8,13-14H2,1-2H3,(H,22,24)/t15-,16-,19-/m0/s1