N-[(2S)-3-[3H-benzimidazol-5-ylsulfonyl(cyclopentylmethyl)amino]-2-oxidanyl-propyl]-N-phenethyl-benzamide

Systemtic Name: N-[(2S)-3-[3H-benzimidazol-5-ylsulfonyl(cyclopentylmethyl)amino]-2-oxidanyl-propyl]-N-phenethyl-benzamide Openeye Name: N-[(2S)-3-[3H-benzimidazol-5-ylsulfonyl(cyclopentylmethyl)amino]-2-hydroxy-propyl]-N-phenethyl-benzamide CAS Name: N-[(2S)-3-[3H-benzimidazol-5-ylsulfonyl(cyclopentylmethyl)amino]-2-hydroxypropyl]-N-phenethylbenzamide IUPAC Name: N-[(2S)-3-[3H-benzimidazol-5-ylsulfonyl(cyclopentylmethyl)amino]-2-hydroxypropyl]-N-phenethylbenzamide Traditional Name: N-[(2S)-3-[3H-benzimidazol-5-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=CC5=C(C=C4)N=CN5

Isomeric SMILES

C1CCC(C1)CN(C[C@H](CN(CCC2=CC=CC=C2)C(=O)C3=CC=CC=C3)O)S(=O)(=O)C4=CC5=C(C=C4)N=CN5

InChI

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