N-[2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]-4-propan-2-yloxy-benzamide

Systemtic Name: N-[2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]-4-propan-2-yloxy-benzamide Openeye Name: N-[2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-oxo-ethyl]-4-isopropoxy-benzamide CAS Name: N-[2-[3-(1-azepanylsulfonyl)-4-methylanilino]-2-oxoethyl]-4-propan-2-yloxybenzamide IUPAC Name: N-[2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl]-4-propan-2-yloxybenzamide Traditional Name: N-[2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-keto-ethyl]-4-isopropoxy-benzamide Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2=CC=C(C=C2)OC(C)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2=CC=C(C=C2)OC(C)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C25H33N3O5S/c1-18(2)33-22-12-9-20(10-13-22)25(30)26-17-24(29)27-21-11-8-19(3)23(16-21)34(31,32)28-14-6-4-5-7-15-28/h8-13,16,18H,4-7,14-15,17H2,1-3H3,(H,26,30)(H,27,29)