N-[2-[7-isocyano-3-(phenylmethyl)-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]ethyl]-N-oxidanyl-methanesulfonamide

Systemtic Name: N-[2-[7-isocyano-3-(phenylmethyl)-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]ethyl]-N-oxidanyl-methanesulfonamide Openeye Name: N-[2-(3-benzyl-7-isocyano-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethyl]-N-hydroxy-methanesulfonamide CAS Name: N-hydroxy-N-[2-[7-isocyano-3-(phenylmethyl)-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]ethyl]methanesulfonamide IUPAC Name: N-[2-(3-benzyl-7-isocyano-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethyl]-N-hydroxymethanesulfonamide Traditional Name: N-[2-(3-benzyl-7-isocyano-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethyl]-N-hydroxy-methanesulfonamide Formula: C23H30N4O5S2 MolecularWeight: 506.6381

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CC2=C(C=CC(=C2)[N+]#[C-])N(CC1CC3=CC=CC=C3)CCN(O)S(=O)(=O)C

Isomeric SMILES

CCCS(=O)(=O)N1CC2=C(C=CC(=C2)[N+]#[C-])N(CC1CC3=CC=CC=C3)CCN(O)S(=O)(=O)C

InChI

InChI=1S/C23H30N4O5S2/c1-4-14-34(31,32)26-17-20-16-21(24-2)10-11-23(20)25(12-13-27(28)33(3,29)30)18-22(26)15-19-8-6-5-7-9-19/h5-11,16,22,28H,4,12-15,17-18H2,1,3H3