N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-thiophen-2-yl-butanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-thiophen-2-yl-butanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(2-thienyl)butanamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-4-thiophen-2-ylbutanamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-thiophen-2-ylbutanamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(2-thienyl)butyramide Formula: C21H28N2O4S2 MolecularWeight: 436.58802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CCCC3=CC=CS3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CCCC3=CC=CS3

InChI

InChI=1S/C21H28N2O4S2/c1-27-20-12-11-18(29(25,26)23-13-4-2-3-5-14-23)16-19(20)22-21(24)10-6-8-17-9-7-15-28-17/h7,9,11-12,15-16H,2-6,8,10,13-14H2,1H3,(H,22,24)