1-[4-[1-(4-methylsulfonylphenyl)propan-2-yl-pentan-3-yl-amino]butyl]azepan-2-one

Systemtic Name: 1-[4-[1-(4-methylsulfonylphenyl)propan-2-yl-pentan-3-yl-amino]butyl]azepan-2-one Openeye Name: 1-[4-[1-ethylpropyl-[1-methyl-2-(4-methylsulfonylphenyl)ethyl]amino]butyl]azepan-2-one CAS Name: 1-[4-[1-(4-methylsulfonylphenyl)propan-2-yl-pentan-3-ylamino]butyl]-2-azepanone IUPAC Name: 1-[4-[1-(4-methylsulfonylphenyl)propan-2-yl-pentan-3-ylamino]butyl]azepan-2-one Traditional Name: 1-[4-[1-ethylpropyl-[2-(4-mesylphenyl)-1-methyl-ethyl]amino]butyl]azepan-2-one Formula: C25H42N2O3S MolecularWeight: 450.67758

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N(CCCCN1CCCCCC1=O)C(C)CC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCC(CC)N(CCCCN1CCCCCC1=O)C(C)CC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C25H42N2O3S/c1-5-23(6-2)27(19-11-10-18-26-17-9-7-8-12-25(26)28)21(3)20-22-13-15-24(16-14-22)31(4,29)30/h13-16,21,23H,5-12,17-20H2,1-4H3