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

Systemtic Name: N-[2-[7-isocyano-3-(phenylmethyl)-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]ethyl]-N-phenylmethoxy-methanesulfonamide Openeye Name: N-[2-(3-benzyl-7-isocyano-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethyl]-N-benzyloxy-methanesulfonamide CAS Name: N-[2-[7-isocyano-3-(phenylmethyl)-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]ethyl]-N-phenylmethoxymethanesulfonamide IUPAC Name: N-[2-(3-benzyl-7-isocyano-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethyl]-N-phenylmethoxymethanesulfonamide Traditional Name: N-benzoxy-N-[2-(3-benzyl-7-isocyano-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethyl]methanesulfonamide Formula: C30H36N4O5S2 MolecularWeight: 596.76064

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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(OCC4=CC=CC=C4)S(=O)(=O)C

Isomeric SMILES

CCCS(=O)(=O)N1CC2=C(C=CC(=C2)[N+]#[C-])N(CC1CC3=CC=CC=C3)CCN(OCC4=CC=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C30H36N4O5S2/c1-4-19-41(37,38)33-22-27-21-28(31-2)15-16-30(27)32(23-29(33)20-25-11-7-5-8-12-25)17-18-34(40(3,35)36)39-24-26-13-9-6-10-14-26/h5-16,21,29H,4,17-20,22-24H2,1,3H3