N-[(2S)-4-[2H-benzotriazol-4-ylmethylsulfonyl(cyclopentylmethyl)amino]-2-oxidanyl-butyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide

Systemtic Name: N-[(2S)-4-[2H-benzotriazol-4-ylmethylsulfonyl(cyclopentylmethyl)amino]-2-oxidanyl-butyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide Openeye Name: N-[(2S)-4-[2H-benzotriazol-4-ylmethylsulfonyl(cyclopentylmethyl)amino]-2-hydroxy-butyl]-N-isobutyl-4-methoxy-benzenesulfonamide CAS Name: N-[(2S)-4-[2H-benzotriazol-4-ylmethylsulfonyl(cyclopentylmethyl)amino]-2-hydroxybutyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide IUPAC Name: N-[(2S)-4-[2H-benzotriazol-4-ylmethylsulfonyl(cyclopentylmethyl)amino]-2-hydroxybutyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide Traditional Name: N-[(2S)-4-[2H-benzotriazol-4-ylmethylsulfonyl(cyclopentylmethyl)amino]-2-hydroxy-butyl]-N-isobutyl-4-methoxy-benzenesulfonamide Formula: C28H41N5O6S2 MolecularWeight: 607.78504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(CCN(CC1CCCC1)S(=O)(=O)CC2=CC=CC3=NNN=C32)O)S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)CN(C[C@H](CCN(CC1CCCC1)S(=O)(=O)CC2=CC=CC3=NNN=C32)O)S(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C28H41N5O6S2/c1-21(2)17-33(41(37,38)26-13-11-25(39-3)12-14-26)19-24(34)15-16-32(18-22-7-4-5-8-22)40(35,36)20-23-9-6-10-27-28(23)30-31-29-27/h6,9-14,21-22,24,34H,4-5,7-8,15-20H2,1-3H3,(H,29,30,31)/t24-/m0/s1