5-(azepan-1-ylsulfonyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxy-benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxy-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-[(2S)-2-(dimethylamino)-2-(2-furyl)ethyl]-2-methoxy-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-[(2S)-2-(dimethylamino)-2-(2-furanyl)ethyl]-2-methoxybenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxybenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-[(2S)-2-(dimethylamino)-2-(2-furyl)ethyl]-2-methoxy-benzamide Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC)C3=CC=CO3

Isomeric SMILES

CN(C)[C@@H](CNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC)C3=CC=CO3

InChI

InChI=1S/C22H31N3O5S/c1-24(2)19(21-9-8-14-30-21)16-23-22(26)18-15-17(10-11-20(18)29-3)31(27,28)25-12-6-4-5-7-13-25/h8-11,14-15,19H,4-7,12-13,16H2,1-3H3,(H,23,26)/t19-/m0/s1