N-[4-(aminomethyl)phenyl]-N-[1-(methylamino)pentan-2-yl]-5-methylsulfonyl-1H-indole-2-carboxamide

Systemtic Name: N-[4-(aminomethyl)phenyl]-N-[1-(methylamino)pentan-2-yl]-5-methylsulfonyl-1H-indole-2-carboxamide Openeye Name: N-[4-(aminomethyl)phenyl]-N-[1-(methylaminomethyl)butyl]-5-methylsulfonyl-1H-indole-2-carboxamide CAS Name: N-[4-(aminomethyl)phenyl]-N-[1-(methylamino)pentan-2-yl]-5-methylsulfonyl-1H-indole-2-carboxamide IUPAC Name: N-[4-(aminomethyl)phenyl]-N-[1-(methylamino)pentan-2-yl]-5-methylsulfonyl-1H-indole-2-carboxamide Traditional Name: N-[4-(aminomethyl)phenyl]-5-mesyl-N-[1-(methylaminomethyl)butyl]-1H-indole-2-carboxamide Formula: C23H30N4O3S MolecularWeight: 442.5743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CNC)N(C1=CC=C(C=C1)CN)C(=O)C2=CC3=C(N2)C=CC(=C3)S(=O)(=O)C

Isomeric SMILES

CCCC(CNC)N(C1=CC=C(C=C1)CN)C(=O)C2=CC3=C(N2)C=CC(=C3)S(=O)(=O)C

InChI

InChI=1S/C23H30N4O3S/c1-4-5-19(15-25-2)27(18-8-6-16(14-24)7-9-18)23(28)22-13-17-12-20(31(3,29)30)10-11-21(17)26-22/h6-13,19,25-26H,4-5,14-15,24H2,1-3H3