N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

Systemtic Name: N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide Openeye Name: N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-3-(4-morpholinosulfonylphenyl)propanamide CAS Name: N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-3-[4-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-3-(4-morpholinosulfonylphenyl)propionamide Formula: C21H32N2O4S MolecularWeight: 408.55478

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H32N2O4S/c1-16-4-3-5-20(17(16)2)22-21(24)11-8-18-6-9-19(10-7-18)28(25,26)23-12-14-27-15-13-23/h6-7,9-10,16-17,20H,3-5,8,11-15H2,1-2H3,(H,22,24)/t16-,17+,20-/m0/s1