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

Systemtic Name: N-[2-[7-isocyano-3-(phenylmethyl)-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]ethyl]methanesulfonamide Openeye Name: N-[2-(3-benzyl-7-isocyano-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethyl]methanesulfonamide CAS Name: 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]methanesulfonamide Traditional Name: N-[2-(3-benzyl-7-isocyano-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethyl]methanesulfonamide Formula: C23H30N4O4S2 MolecularWeight: 490.6387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O4S2/c1-4-14-33(30,31)27-17-20-16-21(24-2)10-11-23(20)26(13-12-25-32(3,28)29)18-22(27)15-19-8-6-5-7-9-19/h5-11,16,22,25H,4,12-15,17-18H2,1,3H3