methylsulfonylbenzene; N-(thiophen-2-ylmethyl)butan-1-amine

Systemtic Name: methylsulfonylbenzene; N-(thiophen-2-ylmethyl)butan-1-amine Openeye Name: methylsulfonylbenzene; N-(2-thienylmethyl)butan-1-amine CAS Name: methylsulfonylbenzene; N-(thiophen-2-ylmethyl)-1-butanamine IUPAC Name: methylsulfonylbenzene; N-(thiophen-2-ylmethyl)butan-1-amine Traditional Name: butyl(2-thenyl)amine; mesylbenzene Formula: C16H23NO2S2 MolecularWeight: 325.48932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=CC=CS1.CS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCNCC1=CC=CS1.CS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C9H15NS.C7H8O2S/c1-2-3-6-10-8-9-5-4-7-11-9;1-10(8,9)7-5-3-2-4-6-7/h4-5,7,10H,2-3,6,8H2,1H3;2-6H,1H3