N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-thiophen-2-yl-propanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-thiophen-2-yl-propanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(2-thienyl)propanamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-thiophen-2-ylpropanamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-thiophen-2-ylpropanamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(2-thienyl)propionamide Formula: C20H26N2O4S2 MolecularWeight: 422.56144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CCC3=CC=CS3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CCC3=CC=CS3

InChI

InChI=1S/C20H26N2O4S2/c1-26-19-10-9-17(28(24,25)22-12-4-2-3-5-13-22)15-18(19)21-20(23)11-8-16-7-6-14-27-16/h6-7,9-10,14-15H,2-5,8,11-13H2,1H3,(H,21,23)