N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3,4-diethoxyphenyl)propanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3,4-diethoxyphenyl)propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3,4-diethoxyphenyl)propanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-(3,4-diethoxyphenyl)propanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3,4-diethoxyphenyl)propanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3,4-diethoxyphenyl)propionamide Formula: C25H34N2O5S MolecularWeight: 474.61286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OCC

InChI

InChI=1S/C25H34N2O5S/c1-3-31-23-15-9-20(19-24(23)32-4-2)10-16-25(28)26-21-11-13-22(14-12-21)33(29,30)27-17-7-5-6-8-18-27/h9,11-15,19H,3-8,10,16-18H2,1-2H3,(H,26,28)