3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]propionamide Formula: C27H39N4O3S+ MolecularWeight: 499.68856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C27H38N4O3S/c1-2-29-19-21-30(22-20-29)26-10-6-5-9-25(26)28-27(32)16-13-23-11-14-24(15-12-23)35(33,34)31-17-7-3-4-8-18-31/h5-6,9-12,14-15H,2-4,7-8,13,16-22H2,1H3,(H,28,32)/p+1