cyclohexyl sulfamate; 1-phenyl-N-(thiophen-3-ylmethyl)propan-2-amine

Systemtic Name: cyclohexyl sulfamate; 1-phenyl-N-(thiophen-3-ylmethyl)propan-2-amine Openeye Name: cyclohexyl sulfamate; 1-phenyl-N-(3-thienylmethyl)propan-2-amine CAS Name: 1-phenyl-N-(3-thiophenylmethyl)-2-propanamine; sulfamic acid cyclohexyl ester IUPAC Name: cyclohexyl sulfamate; 1-phenyl-N-(thiophen-3-ylmethyl)propan-2-amine Traditional Name: (1-methyl-2-phenyl-ethyl)-(3-thenyl)amine; sulfamic acid cyclohexyl ester Formula: C20H30N2O3S2 MolecularWeight: 410.5938

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)NCC2=CSC=C2.C1CCC(CC1)OS(=O)(=O)N

Isomeric SMILES

CC(CC1=CC=CC=C1)NCC2=CSC=C2.C1CCC(CC1)OS(=O)(=O)N

InChI

InChI=1S/C14H17NS.C6H13NO3S/c1-12(9-13-5-3-2-4-6-13)15-10-14-7-8-16-11-14;7-11(8,9)10-6-4-2-1-3-5-6/h2-8,11-12,15H,9-10H2,1H3;6H,1-5H2,(H2,7,8,9)