4-[3-[(3-methylbutylamino)methyl]phenyl]carbonylthiophene-2-sulfonamide chloride

Systemtic Name: 4-[3-[(3-methylbutylamino)methyl]phenyl]carbonylthiophene-2-sulfonamide chloride Openeye Name: 4-[3-[(isopentylamino)methyl]benzoyl]thiophene-2-sulfonamide chloride CAS Name: 4-[[3-[(3-methylbutylamino)methyl]phenyl]-oxomethyl]-2-thiophenesulfonamide chloride IUPAC Name: 4-[3-[(3-methylbutylamino)methyl]benzoyl]thiophene-2-sulfonamide chloride Traditional Name: 4-[3-[(isoamylamino)methyl]benzoyl]thiophene-2-sulfonamide chloride Formula: C17H22ClN2O3S2- MolecularWeight: 401.95118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNCC1=CC=CC(=C1)C(=O)C2=CSC(=C2)S(=O)(=O)N.[Cl-]

Isomeric SMILES

CC(C)CCNCC1=CC=CC(=C1)C(=O)C2=CSC(=C2)S(=O)(=O)N.[Cl-]

InChI

InChI=1S/C17H22N2O3S2.ClH/c1-12(2)6-7-19-10-13-4-3-5-14(8-13)17(20)15-9-16(23-11-15)24(18,21)22;/h3-5,8-9,11-12,19H,6-7,10H2,1-2H3,(H2,18,21,22);1H/p-1