2-[[2-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]amino]-2-oxidanylidene-ethyl]-methyl-amino]-N-propyl-ethanamide

Systemtic Name: 2-[[2-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]amino]-2-oxidanylidene-ethyl]-methyl-amino]-N-propyl-ethanamide Openeye Name: 2-[[2-[5-(azepan-1-ylsulfonyl)-2-chloro-anilino]-2-oxo-ethyl]-methyl-amino]-N-propyl-acetamide CAS Name: 2-[[2-[5-(1-azepanylsulfonyl)-2-chloroanilino]-2-oxoethyl]-methylamino]-N-propylacetamide IUPAC Name: 2-[[2-[5-(azepan-1-ylsulfonyl)-2-chloroanilino]-2-oxoethyl]-methylamino]-N-propylacetamide Traditional Name: 2-[[2-[5-(azepan-1-ylsulfonyl)-2-chloro-anilino]-2-keto-ethyl]-methyl-amino]-N-propyl-acetamide Formula: C20H31ClN4O4S MolecularWeight: 459.00254

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN(C)CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)Cl

Isomeric SMILES

CCCNC(=O)CN(C)CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)Cl

InChI

InChI=1S/C20H31ClN4O4S/c1-3-10-22-19(26)14-24(2)15-20(27)23-18-13-16(8-9-17(18)21)30(28,29)25-11-6-4-5-7-12-25/h8-9,13H,3-7,10-12,14-15H2,1-2H3,(H,22,26)(H,23,27)