3-(azepan-1-ylsulfonyl)-N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[4-(4-ethyl-1-piperazinyl)phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[4-(4-ethylpiperazino)phenyl]benzamide Formula: C25H34N4O3S MolecularWeight: 470.62746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H34N4O3S/c1-2-27-16-18-28(19-17-27)23-12-10-22(11-13-23)26-25(30)21-8-7-9-24(20-21)33(31,32)29-14-5-3-4-6-15-29/h7-13,20H,2-6,14-19H2,1H3,(H,26,30)