3-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-N,N-diethyl-benzamide

Systemtic Name: 3-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-N,N-diethyl-benzamide Openeye Name: 3-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-N,N-diethyl-benzamide CAS Name: 3-[[3-[4-(1-azepanylsulfonyl)phenyl]-1-oxopropyl]amino]-N,N-diethylbenzamide IUPAC Name: 3-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-N,N-diethylbenzamide Traditional Name: 3-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-N,N-diethyl-benzamide Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C26H35N3O4S/c1-3-28(4-2)26(31)22-10-9-11-23(20-22)27-25(30)17-14-21-12-15-24(16-13-21)34(32,33)29-18-7-5-6-8-19-29/h9-13,15-16,20H,3-8,14,17-19H2,1-2H3,(H,27,30)