2-(butylsulfonylamino)pent-4-enoate; dicyclohexylazanium

Systemtic Name: 2-(butylsulfonylamino)pent-4-enoate; dicyclohexylazanium Openeye Name: 2-(butylsulfonylamino)pent-4-enoate; dicyclohexylammonium CAS Name: 2-(butylsulfonylamino)-4-pentenoate; dicyclohexylammonium IUPAC Name: 2-(butylsulfonylamino)pent-4-enoate; dicyclohexylazanium Traditional Name: 2-(butylsulfonylamino)pent-4-enoate; dicyclohexylammonium Formula: C21H40N2O4S MolecularWeight: 416.6183

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CC=C)C(=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

CCCCS(=O)(=O)NC(CC=C)C(=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C12H23N.C9H17NO4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-5-7-15(13,14)10-8(6-4-2)9(11)12/h11-13H,1-10H2;4,8,10H,2-3,5-7H2,1H3,(H,11,12)