N-[(2S)-3-[2H-benzotriazol-4-ylmethylsulfonyl(cyclopentylmethyl)amino]-2-oxidanyl-propyl]-N-phenethyl-benzamide

Systemtic Name: N-[(2S)-3-[2H-benzotriazol-4-ylmethylsulfonyl(cyclopentylmethyl)amino]-2-oxidanyl-propyl]-N-phenethyl-benzamide Openeye Name: N-[(2S)-3-[2H-benzotriazol-4-ylmethylsulfonyl(cyclopentylmethyl)amino]-2-hydroxy-propyl]-N-phenethyl-benzamide CAS Name: N-[(2S)-3-[2H-benzotriazol-4-ylmethylsulfonyl(cyclopentylmethyl)amino]-2-hydroxypropyl]-N-phenethylbenzamide IUPAC Name: N-[(2S)-3-[2H-benzotriazol-4-ylmethylsulfonyl(cyclopentylmethyl)amino]-2-hydroxypropyl]-N-phenethylbenzamide Traditional Name: N-[(2S)-3-[2H-benzotriazol-4-ylmethylsulfonyl(cyclopentylmethyl)amino]-2-hydroxy-propyl]-N-phenethyl-benzamide Formula: C31H37N5O4S MolecularWeight: 575.72158

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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)CC4=CC=CC5=NNN=C54

Isomeric SMILES

C1CCC(C1)CN(C[C@H](CN(CCC2=CC=CC=C2)C(=O)C3=CC=CC=C3)O)S(=O)(=O)CC4=CC=CC5=NNN=C54

InChI

InChI=1S/C31H37N5O4S/c37-28(21-35(19-18-24-10-3-1-4-11-24)31(38)26-14-5-2-6-15-26)22-36(20-25-12-7-8-13-25)41(39,40)23-27-16-9-17-29-30(27)33-34-32-29/h1-6,9-11,14-17,25,28,37H,7-8,12-13,18-23H2,(H,32,33,34)/t28-/m0/s1