N-[4-(aminomethyl)phenyl]-3-methyl-N-[1-(methylamino)pentan-2-yl]-1-benzothiophene-2-sulfonamide

Systemtic Name: N-[4-(aminomethyl)phenyl]-3-methyl-N-[1-(methylamino)pentan-2-yl]-1-benzothiophene-2-sulfonamide Openeye Name: N-[4-(aminomethyl)phenyl]-3-methyl-N-[1-(methylaminomethyl)butyl]benzothiophene-2-sulfonamide CAS Name: N-[4-(aminomethyl)phenyl]-3-methyl-N-[1-(methylamino)pentan-2-yl]-1-benzothiophene-2-sulfonamide IUPAC Name: N-[4-(aminomethyl)phenyl]-3-methyl-N-[1-(methylamino)pentan-2-yl]-1-benzothiophene-2-sulfonamide Traditional Name: N-[4-(aminomethyl)phenyl]-3-methyl-N-[1-(methylaminomethyl)butyl]benzothiophene-2-sulfonamide Formula: C22H29N3O2S2 MolecularWeight: 431.61456

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CNC)N(C1=CC=C(C=C1)CN)S(=O)(=O)C2=C(C3=CC=CC=C3S2)C

Isomeric SMILES

CCCC(CNC)N(C1=CC=C(C=C1)CN)S(=O)(=O)C2=C(C3=CC=CC=C3S2)C

InChI

InChI=1S/C22H29N3O2S2/c1-4-7-19(15-24-3)25(18-12-10-17(14-23)11-13-18)29(26,27)22-16(2)20-8-5-6-9-21(20)28-22/h5-6,8-13,19,24H,4,7,14-15,23H2,1-3H3