3-[4-(aminomethyl)phenyl]-N-[2-(methylamino)ethyl]-N-propyl-1-benzothiophene-2-sulfonamide

Systemtic Name: 3-[4-(aminomethyl)phenyl]-N-[2-(methylamino)ethyl]-N-propyl-1-benzothiophene-2-sulfonamide Openeye Name: 3-[4-(aminomethyl)phenyl]-N-[2-(methylamino)ethyl]-N-propyl-benzothiophene-2-sulfonamide CAS Name: 3-[4-(aminomethyl)phenyl]-N-[2-(methylamino)ethyl]-N-propyl-1-benzothiophene-2-sulfonamide IUPAC Name: 3-[4-(aminomethyl)phenyl]-N-[2-(methylamino)ethyl]-N-propyl-1-benzothiophene-2-sulfonamide Traditional Name: 3-[4-(aminomethyl)phenyl]-N-[2-(methylamino)ethyl]-N-propyl-benzothiophene-2-sulfonamide Formula: C21H27N3O2S2 MolecularWeight: 417.58798

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCNC)S(=O)(=O)C1=C(C2=CC=CC=C2S1)C3=CC=C(C=C3)CN

Isomeric SMILES

CCCN(CCNC)S(=O)(=O)C1=C(C2=CC=CC=C2S1)C3=CC=C(C=C3)CN

InChI

InChI=1S/C21H27N3O2S2/c1-3-13-24(14-12-23-2)28(25,26)21-20(17-10-8-16(15-22)9-11-17)18-6-4-5-7-19(18)27-21/h4-11,23H,3,12-15,22H2,1-2H3