N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(2,5-dimethyl-3-thienyl)-4-oxo-butanamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-4-(2,5-dimethyl-3-thiophenyl)-4-oxobutanamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(2,5-dimethyl-3-thienyl)-4-keto-butyramide Formula: C23H30N2O5S2 MolecularWeight: 478.6247

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C23H30N2O5S2/c1-16-14-19(17(2)31-16)21(26)9-11-23(27)24-20-15-18(8-10-22(20)30-3)32(28,29)25-12-6-4-5-7-13-25/h8,10,14-15H,4-7,9,11-13H2,1-3H3,(H,24,27)