3-[4-(aminomethyl)phenyl]-N-(2-azanylethyl)-2-methyl-N-propyl-2H-1,3-benzothiazole-6-sulfonamide

Systemtic Name: 3-[4-(aminomethyl)phenyl]-N-(2-azanylethyl)-2-methyl-N-propyl-2H-1,3-benzothiazole-6-sulfonamide Openeye Name: N-(2-aminoethyl)-3-[4-(aminomethyl)phenyl]-2-methyl-N-propyl-2H-1,3-benzothiazole-6-sulfonamide CAS Name: N-(2-aminoethyl)-3-[4-(aminomethyl)phenyl]-2-methyl-N-propyl-2H-1,3-benzothiazole-6-sulfonamide IUPAC Name: N-(2-aminoethyl)-3-[4-(aminomethyl)phenyl]-2-methyl-N-propyl-2H-1,3-benzothiazole-6-sulfonamide Traditional Name: N-(2-aminoethyl)-3-[4-(aminomethyl)phenyl]-2-methyl-N-propyl-2H-1,3-benzothiazole-6-sulfonamide Formula: C20H28N4O2S2 MolecularWeight: 420.59192

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCN)S(=O)(=O)C1=CC2=C(C=C1)N(C(S2)C)C3=CC=C(C=C3)CN

Isomeric SMILES

CCCN(CCN)S(=O)(=O)C1=CC2=C(C=C1)N(C(S2)C)C3=CC=C(C=C3)CN

InChI

InChI=1S/C20H28N4O2S2/c1-3-11-23(12-10-21)28(25,26)18-8-9-19-20(13-18)27-15(2)24(19)17-6-4-16(14-22)5-7-17/h4-9,13,15H,3,10-12,14,21-22H2,1-2H3