[2-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]amino]-2-oxidanylidene-ethyl] 4-methylpentanoate

Systemtic Name: [2-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]amino]-2-oxidanylidene-ethyl] 4-methylpentanoate Openeye Name: [2-[5-(azepan-1-ylsulfonyl)-2-chloro-anilino]-2-oxo-ethyl] 4-methylpentanoate CAS Name: 4-methylpentanoic acid [2-[5-(1-azepanylsulfonyl)-2-chloroanilino]-2-oxoethyl] ester IUPAC Name: [2-[5-(azepan-1-ylsulfonyl)-2-chloroanilino]-2-oxoethyl] 4-methylpentanoate Traditional Name: 4-methylvaleric acid [2-[5-(azepan-1-ylsulfonyl)-2-chloro-anilino]-2-keto-ethyl] ester Formula: C20H29ClN2O5S MolecularWeight: 444.97266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)OCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)Cl

Isomeric SMILES

CC(C)CCC(=O)OCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)Cl

InChI

InChI=1S/C20H29ClN2O5S/c1-15(2)7-10-20(25)28-14-19(24)22-18-13-16(8-9-17(18)21)29(26,27)23-11-5-3-4-6-12-23/h8-9,13,15H,3-7,10-12,14H2,1-2H3,(H,22,24)