N-tert-butylpiperazine-2-carboxamide; [(4S)-7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl]methanesulfonic acid

Systemtic Name: N-tert-butylpiperazine-2-carboxamide; [(4S)-7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl]methanesulfonic acid Openeye Name: N-tert-butylpiperazine-2-carboxamide; [(1S)-7,7-dimethyl-2-oxo-norbornan-1-yl]methanesulfonic acid CAS Name: N-tert-butyl-2-piperazinecarboxamide; [(4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonic acid IUPAC Name: N-tert-butylpiperazine-2-carboxamide; [(4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonic acid Traditional Name: N-tert-butylpiperazine-2-carboxamide; [(1S)-2-keto-7,7-dimethyl-norbornan-1-yl]methanesulfonic acid Formula: C29H51N3O9S2 MolecularWeight: 649.85994

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(=O)C2)CS(=O)(=O)O)C.CC1(C2CCC1(C(=O)C2)CS(=O)(=O)O)C.CC(C)(C)NC(=O)C1CNCCN1

Isomeric SMILES

CC1(C2CC[C@]1(C(=O)C2)CS(=O)(=O)O)C.CC1(C2CC[C@]1(C(=O)C2)CS(=O)(=O)O)C.CC(C)(C)NC(=O)C1CNCCN1

InChI

InChI=1S/2C10H16O4S.C9H19N3O/c2*1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;1-9(2,3)12-8(13)7-6-10-4-5-11-7/h2*7H,3-6H2,1-2H3,(H,12,13,14);7,10-11H,4-6H2,1-3H3,(H,12,13)/t2*7?,10-;/m11./s1