N-[[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-1-adamantyl]methyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-1-adamantyl]methyl]-4-methyl-benzenesulfonamide Openeye Name: N-[[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxo-ethyl]amino]-1-adamantyl]methyl]-4-methyl-benzenesulfonamide CAS Name: N-[[3-[[2-[(2S)-2-cyano-1-pyrrolidinyl]-2-oxoethyl]amino]-1-adamantyl]methyl]-4-methylbenzenesulfonamide IUPAC Name: N-[[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-1-adamantyl]methyl]-4-methylbenzenesulfonamide Traditional Name: N-[[3-[[2-[(2S)-2-cyanopyrrolidino]-2-keto-ethyl]amino]-1-adamantyl]methyl]-4-methyl-benzenesulfonamide Formula: C25H34N4O3S MolecularWeight: 470.62746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC23CC4CC(C2)CC(C4)(C3)NCC(=O)N5CCCC5C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC23CC4CC(C2)CC(C4)(C3)NCC(=O)N5CCC[C@H]5C#N

InChI

InChI=1S/C25H34N4O3S/c1-18-4-6-22(7-5-18)33(31,32)28-17-24-10-19-9-20(11-24)13-25(12-19,16-24)27-15-23(30)29-8-2-3-21(29)14-26/h4-7,19-21,27-28H,2-3,8-13,15-17H2,1H3/t19?,20?,21-,24?,25?/m0/s1