4-[(pentan-3-ylamino)methyl]benzenesulfonamide

Systemtic Name: 4-[(pentan-3-ylamino)methyl]benzenesulfonamide Openeye Name: 4-[(1-ethylpropylamino)methyl]benzenesulfonamide CAS Name: 4-[(pentan-3-ylamino)methyl]benzenesulfonamide IUPAC Name: 4-[(pentan-3-ylamino)methyl]benzenesulfonamide Traditional Name: 4-[(1-ethylpropylamino)methyl]benzenesulfonamide Formula: C12H20N2O2S MolecularWeight: 256.3644

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NCC1=CC=C(C=C1)S(=O)(=O)N

Isomeric SMILES

CCC(CC)NCC1=CC=C(C=C1)S(=O)(=O)N

InChI

InChI=1S/C12H20N2O2S/c1-3-11(4-2)14-9-10-5-7-12(8-6-10)17(13,15)16/h5-8,11,14H,3-4,9H2,1-2H3,(H2,13,15,16)