2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methyl-1-phenyl-propyl)ethanamide

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methyl-1-phenyl-propyl)ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methyl-1-phenyl-propyl)acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-N-(2-methyl-1-phenylpropyl)acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methyl-1-phenylpropyl)acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazino]-N-(2-methyl-1-phenyl-propyl)acetamide Formula: C22H36N4O3S MolecularWeight: 436.61124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CC=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C)C(C1=CC=CC=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H36N4O3S/c1-19(2)22(20-10-6-5-7-11-20)23-21(27)18-24-14-16-26(17-15-24)30(28,29)25-12-8-3-4-9-13-25/h5-7,10-11,19,22H,3-4,8-9,12-18H2,1-2H3,(H,23,27)