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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-thiophen-3-yl-propanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(3-thienyl)propanamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-(3-thiophenyl)propanamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-thiophen-3-ylpropanamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(3-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=CSC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CCC3=CSC=C3

InChI

InChI=1S/C20H26N2O4S2/c1-26-19-8-7-17(28(24,25)22-11-4-2-3-5-12-22)14-18(19)21-20(23)9-6-16-10-13-27-15-16/h7-8,10,13-15H,2-6,9,11-12H2,1H3,(H,21,23)