2-[[2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-amino]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[[2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-amino]-N-cyclopropyl-ethanamide Openeye Name: 2-[[2-[4-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl]-methyl-amino]-N-cyclopropyl-acetamide CAS Name: 2-[[2-[4-(1-azepanylsulfonyl)anilino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide IUPAC Name: 2-[[2-[4-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide Traditional Name: 2-[[2-[4-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl]-methyl-amino]-N-cyclopropyl-acetamide Formula: C20H30N4O4S MolecularWeight: 422.5416

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1CC1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(CC(=O)NC1CC1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H30N4O4S/c1-23(14-19(25)21-16-6-7-16)15-20(26)22-17-8-10-18(11-9-17)29(27,28)24-12-4-2-3-5-13-24/h8-11,16H,2-7,12-15H2,1H3,(H,21,25)(H,22,26)