benzenesulfonic acid; 4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-N,N-dimethyl-cyclohexane-1-carboxamide

Systemtic Name: benzenesulfonic acid; 4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-N,N-dimethyl-cyclohexane-1-carboxamide Openeye Name: benzenesulfonic acid; 4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxo-ethyl]amino]-N,N-dimethyl-cyclohexanecarboxamide CAS Name: benzenesulfonic acid; 4-[[2-[(2S)-2-cyano-1-pyrrolidinyl]-2-oxoethyl]amino]-N,N-dimethyl-1-cyclohexanecarboxamide IUPAC Name: benzenesulfonic acid; 4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N,N-dimethylcyclohexane-1-carboxamide Traditional Name: besylic acid; 4-[[2-[(2S)-2-cyanopyrrolidino]-2-keto-ethyl]amino]-N,N-dimethyl-cyclohexanecarboxamide Formula: C22H32N4O5S MolecularWeight: 464.57828

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1CCC(CC1)NCC(=O)N2CCCC2C#N.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CN(C)C(=O)C1CCC(CC1)NCC(=O)N2CCC[C@H]2C#N.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C16H26N4O2.C6H6O3S/c1-19(2)16(22)12-5-7-13(8-6-12)18-11-15(21)20-9-3-4-14(20)10-17;7-10(8,9)6-4-2-1-3-5-6/h12-14,18H,3-9,11H2,1-2H3;1-5H,(H,7,8,9)/t12?,13?,14-;/m0./s1