N-[1-[2-[(4S)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]methanesulfonamide

Systemtic Name: N-[1-[2-[(4S)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]methanesulfonamide Openeye Name: N-[1-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxo-ethyl]piperidin-1-ium-4-yl]methanesulfonamide CAS Name: N-[1-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-4-piperidin-1-iumyl]methanesulfonamide IUPAC Name: N-[1-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]piperidin-1-ium-4-yl]methanesulfonamide Traditional Name: N-[1-[2-keto-2-[(4S)-2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl]piperidin-1-ium-4-yl]methanesulfonamide Formula: C18H27N4O4S+ MolecularWeight: 395.49638

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)C[NH+]3CCC(CC3)NS(=O)(=O)C

Isomeric SMILES

C[C@H]1CC(=O)NC2=CC=CC=C2N1C(=O)C[NH+]3CCC(CC3)NS(=O)(=O)C

InChI

InChI=1S/C18H26N4O4S/c1-13-11-17(23)19-15-5-3-4-6-16(15)22(13)18(24)12-21-9-7-14(8-10-21)20-27(2,25)26/h3-6,13-14,20H,7-12H2,1-2H3,(H,19,23)/p+1/t13-/m0/s1