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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(2,5-dimethylphenyl)-4-oxidanylidene-butanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(2,5-dimethylphenyl)-4-oxo-butanamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(2,5-dimethylphenyl)-4-keto-butyramide Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O5S/c1-18-8-9-19(2)21(16-18)23(28)11-13-25(29)26-22-17-20(10-12-24(22)32-3)33(30,31)27-14-6-4-5-7-15-27/h8-10,12,16-17H,4-7,11,13-15H2,1-3H3,(H,26,29)