2-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethanoylamino]-N-(2-methoxy-5-methyl-phenyl)ethanamide

Systemtic Name: 2-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethanoylamino]-N-(2-methoxy-5-methyl-phenyl)ethanamide Openeye Name: 2-[[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]amino]-N-(2-methoxy-5-methyl-phenyl)acetamide CAS Name: 2-[[2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-1-oxoethyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide IUPAC Name: 2-[[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide Traditional Name: 2-[[2-[4-(azepan-1-ylsulfonyl)piperazino]acetyl]amino]-N-(2-methoxy-5-methyl-phenyl)acetamide Formula: C22H35N5O5S MolecularWeight: 481.6088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)CN2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)CN2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H35N5O5S/c1-18-7-8-20(32-2)19(15-18)24-21(28)16-23-22(29)17-25-11-13-27(14-12-25)33(30,31)26-9-5-3-4-6-10-26/h7-8,15H,3-6,9-14,16-17H2,1-2H3,(H,23,29)(H,24,28)