3-azanyl-5-(butylaminomethyl)-2-(phenylmethyl)benzenesulfonamide

Systemtic Name: 3-azanyl-5-(butylaminomethyl)-2-(phenylmethyl)benzenesulfonamide Openeye Name: 3-amino-2-benzyl-5-(butylaminomethyl)benzenesulfonamide CAS Name: 3-amino-5-(butylaminomethyl)-2-(phenylmethyl)benzenesulfonamide IUPAC Name: 3-amino-2-benzyl-5-(butylaminomethyl)benzenesulfonamide Traditional Name: 3-amino-2-benzyl-5-(butylaminomethyl)benzenesulfonamide Formula: C18H25N3O2S MolecularWeight: 347.475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=CC(=C(C(=C1)S(=O)(=O)N)CC2=CC=CC=C2)N

Isomeric SMILES

CCCCNCC1=CC(=C(C(=C1)S(=O)(=O)N)CC2=CC=CC=C2)N

InChI

InChI=1S/C18H25N3O2S/c1-2-3-9-21-13-15-11-17(19)16(18(12-15)24(20,22)23)10-14-7-5-4-6-8-14/h4-8,11-12,21H,2-3,9-10,13,19H2,1H3,(H2,20,22,23)