2-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethanoylamino]-N-(2,3-dimethylphenyl)ethanamide

Systemtic Name: 2-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethanoylamino]-N-(2,3-dimethylphenyl)ethanamide Openeye Name: 2-[[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide CAS Name: 2-[[2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-1-oxoethyl]amino]-N-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-[[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[[2-[4-(azepan-1-ylsulfonyl)piperazino]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide Formula: C22H35N5O4S MolecularWeight: 465.6094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N5O4S/c1-18-8-7-9-20(19(18)2)24-21(28)16-23-22(29)17-25-12-14-27(15-13-25)32(30,31)26-10-5-3-4-6-11-26/h7-9H,3-6,10-17H2,1-2H3,(H,23,29)(H,24,28)