N-[(2S)-3-[1H-benzimidazol-2-ylsulfonyl(cyclopentylmethyl)amino]-2-oxidanyl-propyl]-N-phenethyl-benzamide

Systemtic Name: N-[(2S)-3-[1H-benzimidazol-2-ylsulfonyl(cyclopentylmethyl)amino]-2-oxidanyl-propyl]-N-phenethyl-benzamide Openeye Name: N-[(2S)-3-[1H-benzimidazol-2-ylsulfonyl(cyclopentylmethyl)amino]-2-hydroxy-propyl]-N-phenethyl-benzamide CAS Name: N-[(2S)-3-[1H-benzimidazol-2-ylsulfonyl(cyclopentylmethyl)amino]-2-hydroxypropyl]-N-phenethylbenzamide IUPAC Name: N-[(2S)-3-[1H-benzimidazol-2-ylsulfonyl(cyclopentylmethyl)amino]-2-hydroxypropyl]-N-phenethylbenzamide Traditional Name: N-[(2S)-3-[1H-benzimidazol-2-ylsulfonyl(cyclopentylmethyl)amino]-2-hydroxy-propyl]-N-phenethyl-benzamide Formula: C31H36N4O4S MolecularWeight: 560.70694

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CN(CC(CN(CCC2=CC=CC=C2)C(=O)C3=CC=CC=C3)O)S(=O)(=O)C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CCC(C1)CN(C[C@H](CN(CCC2=CC=CC=C2)C(=O)C3=CC=CC=C3)O)S(=O)(=O)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C31H36N4O4S/c36-27(22-34(20-19-24-11-3-1-4-12-24)30(37)26-15-5-2-6-16-26)23-35(21-25-13-7-8-14-25)40(38,39)31-32-28-17-9-10-18-29(28)33-31/h1-6,9-12,15-18,25,27,36H,7-8,13-14,19-23H2,(H,32,33)/t27-/m0/s1