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

Systemtic Name: 2-[[2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]-ethyl-amino]-N-ethyl-ethanamide Openeye Name: 2-[[2-[4-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl]-ethyl-amino]-N-ethyl-acetamide CAS Name: 2-[[2-[4-(1-azepanylsulfonyl)anilino]-2-oxoethyl]-ethylamino]-N-ethylacetamide IUPAC Name: 2-[[2-[4-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]-ethylamino]-N-ethylacetamide Traditional Name: 2-[[2-[4-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl]-ethyl-amino]-N-ethyl-acetamide Formula: C20H32N4O4S MolecularWeight: 424.55748

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CN(CC)CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CCNC(=O)CN(CC)CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C20H32N4O4S/c1-3-21-19(25)15-23(4-2)16-20(26)22-17-9-11-18(12-10-17)29(27,28)24-13-7-5-6-8-14-24/h9-12H,3-8,13-16H2,1-2H3,(H,21,25)(H,22,26)