N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-butylpiperazin-1-yl)ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-butylpiperazin-1-yl)ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-butylpiperazin-1-yl)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(4-butyl-1-piperazinyl)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-butylpiperazin-1-yl)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-butylpiperazino)acetamide Formula: C22H36N4O3S MolecularWeight: 436.61124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCCCN1CCN(CC1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H36N4O3S/c1-2-3-12-24-15-17-25(18-16-24)19-22(27)23-20-8-10-21(11-9-20)30(28,29)26-13-6-4-5-7-14-26/h8-11H,2-7,12-19H2,1H3,(H,23,27)