3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(5-chloranylthiophen-2-yl)methyl]-N-ethyl-propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(5-chloranylthiophen-2-yl)methyl]-N-ethyl-propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(5-chloro-2-thienyl)methyl]-N-ethyl-propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[(5-chloro-2-thiophenyl)methyl]-N-ethylpropanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpropanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(5-chloro-2-thienyl)methyl]-N-ethyl-propionamide Formula: C22H29ClN2O3S2 MolecularWeight: 469.06026

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(S1)Cl)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCN(CC1=CC=C(S1)Cl)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H29ClN2O3S2/c1-2-24(17-19-10-13-21(23)29-19)22(26)14-9-18-7-11-20(12-8-18)30(27,28)25-15-5-3-4-6-16-25/h7-8,10-13H,2-6,9,14-17H2,1H3