N-[1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-2-methyl-benzamide

Systemtic Name: N-[1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-2-methyl-benzamide Openeye Name: N-[1-[4-(azepan-1-ylsulfonyl)piperazine-1-carbonyl]-2-methyl-propyl]-2-methyl-benzamide CAS Name: N-[1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide IUPAC Name: N-[1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide Traditional Name: N-[1-[4-(azepan-1-ylsulfonyl)piperazine-1-carbonyl]-2-methyl-propyl]-2-methyl-benzamide Formula: C23H36N4O4S MolecularWeight: 464.62134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H36N4O4S/c1-18(2)21(24-22(28)20-11-7-6-10-19(20)3)23(29)25-14-16-27(17-15-25)32(30,31)26-12-8-4-5-9-13-26/h6-7,10-11,18,21H,4-5,8-9,12-17H2,1-3H3,(H,24,28)