[(2S)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-[4-(methylsulfonylamino)phenyl]azanide

Systemtic Name: [(2S)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-[4-(methylsulfonylamino)phenyl]azanide Openeye Name: [(1S)-2-(1-adamantylcarbamoylamino)-1-methyl-2-oxo-ethyl]-[4-(methanesulfonamido)phenyl]azanide CAS Name: [(2S)-1-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropan-2-yl]-[4-(methanesulfonamido)phenyl]azanide IUPAC Name: [(2S)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[4-(methanesulfonamido)phenyl]azanide Traditional Name: [(1S)-2-(1-adamantylcarbamoylamino)-2-keto-1-methyl-ethyl]-[4-(methanesulfonamido)phenyl]azanide Formula: C21H29N4O4S- MolecularWeight: 433.54436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)[N-]C4=CC=C(C=C4)NS(=O)(=O)C

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)[N-]C4=CC=C(C=C4)NS(=O)(=O)C

InChI

InChI=1S/C21H29N4O4S/c1-13(22-17-3-5-18(6-4-17)25-30(2,28)29)19(26)23-20(27)24-21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,13-16,25H,7-12H2,1-2H3,(H2,23,24,26,27)/q-1/t13-,14?,15?,16?,21?/m0/s1