3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(dimethylamino)phenyl]propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(dimethylamino)phenyl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(dimethylamino)phenyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[2-(dimethylamino)phenyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(dimethylamino)phenyl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(dimethylamino)phenyl]propionamide Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC=C1NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(C)C1=CC=CC=C1NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H31N3O3S/c1-25(2)22-10-6-5-9-21(22)24-23(27)16-13-19-11-14-20(15-12-19)30(28,29)26-17-7-3-4-8-18-26/h5-6,9-12,14-15H,3-4,7-8,13,16-18H2,1-2H3,(H,24,27)