N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[methyl(thiophen-3-ylmethyl)amino]ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[methyl(thiophen-3-ylmethyl)amino]ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[methyl(3-thienylmethyl)amino]acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-[methyl(3-thiophenylmethyl)amino]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[methyl(3-thenyl)amino]acetamide Formula: C21H29N3O4S2 MolecularWeight: 451.60266

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CSC=C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CN(CC1=CSC=C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C21H29N3O4S2/c1-23(14-17-9-12-29-16-17)15-21(25)22-19-13-18(7-8-20(19)28-2)30(26,27)24-10-5-3-4-6-11-24/h7-9,12-13,16H,3-6,10-11,14-15H2,1-2H3,(H,22,25)