N-[(2S)-heptan-2-yl]-3-(1-methyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propanamide

Systemtic Name: N-[(2S)-heptan-2-yl]-3-(1-methyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propanamide Openeye Name: N-[(1S)-1-methylhexyl]-3-(1-methyl-5-morpholinosulfonyl-benzimidazol-2-yl)propanamide CAS Name: N-[(2S)-heptan-2-yl]-3-[1-methyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]propanamide IUPAC Name: N-[(2S)-heptan-2-yl]-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide Traditional Name: N-[(1S)-1-methylhexyl]-3-(1-methyl-5-morpholinosulfonyl-benzimidazol-2-yl)propionamide Formula: C22H34N4O4S MolecularWeight: 450.59476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CCC1=NC2=C(N1C)C=CC(=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCCCC[C@H](C)NC(=O)CCC1=NC2=C(N1C)C=CC(=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H34N4O4S/c1-4-5-6-7-17(2)23-22(27)11-10-21-24-19-16-18(8-9-20(19)25(21)3)31(28,29)26-12-14-30-15-13-26/h8-9,16-17H,4-7,10-15H2,1-3H3,(H,23,27)/t17-/m0/s1